USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 GLC O2 : rot -124:sc= 0.112 USER MOD Set 1.2: A 192 BGC O3 : rot 180:sc= 0 USER MOD Set 2.1: A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 154 SER OG : rot 18:sc= 0.0405 USER MOD Set 3.1: A 109 HIS : no HE2:sc= 0 X(o=0.012,f=-0.087) USER MOD Set 3.2: A 147 SER OG : rot 25:sc= 0.012 USER MOD Set 4.1: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 192 BGC O6 : rot -10:sc= 0.343 USER MOD Set 5.1: A 15 ASN : amide:sc= -2.23 X(o=-1.1,f=-1.2!) USER MOD Set 5.2: A 63 THR OG1 : rot -81:sc= 1.18 USER MOD Set 6.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 20 SER OG : rot -29:sc= -0.852 USER MOD Set 7.2: A 28 HIS : no HE2:sc= -1.39 K(o=-2.2,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc=-0.00586 (180deg=-0.195) USER MOD Single : A 21 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.26) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 120:sc= -0.0031 USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= -0.193 (180deg=-1.51) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 138:sc= 0.492 USER MOD Single : A 54 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.091) USER MOD Single : A 58 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0.162 F(o=-0.73,f=0.16) USER MOD Single : A 67 ASN : amide:sc= -1.67 K(o=-1.7,f=-5.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 130:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.0668 (180deg=-0.308) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.437 USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= -4.02! (180deg=-4.61!) USER MOD Single : A 96 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.036) USER MOD Single : A 97 SER OG : rot -135:sc= 0.751 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc=-0.000517 X(o=-0.00052,f=-0.00052) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc=-0.00168 (180deg=-0.114) USER MOD Single : A 107 ASN : amide:sc= -4.37! C(o=-4.4!,f=-7.6!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -176:sc= -0.253 (180deg=-0.281) USER MOD Single : A 123 HIS : no HD1:sc=-0.00472 X(o=-0.0047,f=-0.011) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -10:sc= 0.722 USER MOD Single : A 127 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.21) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -115:sc= -0.0296 (180deg=-0.241) USER MOD Single : A 137 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.05) USER MOD Single : A 139 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0968) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 161:sc= 0.449 (180deg=0.276) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.1!) USER MOD Single : A 166 LYS NZ :NH3+ -155:sc= -0.11 (180deg=-0.299) USER MOD Single : A 168 CYS SG : rot 62:sc= 0.424 USER MOD Single : A 173 MET CE :methyl 135:sc= -0.278 (180deg=-1.25) USER MOD Single : A 174 LYS NZ :NH3+ -179:sc= 0.0903 (180deg=0.0897) USER MOD Single : A 176 THR OG1 : rot 96:sc= 0.0507 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 186 HIS : no HD1:sc= 0.183 K(o=0.18,f=-5.1!) USER MOD Single : A 191 GLC O3 : rot 180:sc= 0 USER MOD Single : A 191 GLC O4 : rot 180:sc= 0 USER MOD Single : A 191 GLC O6 : rot -13:sc= 0.284 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.093 -20.480 0.793 1.00 8.93 N ATOM 2 CA GLY A 1 24.091 -19.065 0.332 1.00 8.42 C ATOM 3 C GLY A 1 22.738 -18.400 0.503 1.00 7.62 C ATOM 4 O GLY A 1 22.077 -18.585 1.528 1.00 7.93 O ATOM 0 H1 GLY A 1 25.039 -20.889 0.655 1.00 8.93 H new ATOM 0 H2 GLY A 1 23.844 -20.517 1.802 1.00 8.93 H new ATOM 0 H3 GLY A 1 23.397 -21.025 0.245 1.00 8.93 H new ATOM 0 HA2 GLY A 1 24.841 -18.504 0.889 1.00 8.42 H new ATOM 0 HA3 GLY A 1 24.380 -19.028 -0.718 1.00 8.42 H new ATOM 10 N ALA A 2 22.324 -17.611 -0.521 1.00 6.82 N ATOM 11 CA ALA A 2 21.026 -16.888 -0.515 1.00 6.18 C ATOM 12 C ALA A 2 20.032 -17.464 -1.566 1.00 5.26 C ATOM 13 O ALA A 2 20.381 -17.683 -2.741 1.00 5.28 O ATOM 14 CB ALA A 2 21.250 -15.367 -0.734 1.00 6.51 C ATOM 0 H ALA A 2 22.874 -17.459 -1.366 1.00 6.82 H new ATOM 0 HA ALA A 2 20.572 -17.035 0.465 1.00 6.18 H new ATOM 0 HB1 ALA A 2 20.289 -14.853 -0.727 1.00 6.51 H new ATOM 0 HB2 ALA A 2 21.878 -14.973 0.065 1.00 6.51 H new ATOM 0 HB3 ALA A 2 21.740 -15.206 -1.694 1.00 6.51 H new ATOM 20 N MET A 3 18.788 -17.729 -1.112 1.00 4.80 N ATOM 21 CA MET A 3 17.729 -18.279 -1.978 1.00 4.18 C ATOM 22 C MET A 3 16.373 -17.574 -1.732 1.00 3.48 C ATOM 23 O MET A 3 15.871 -16.876 -2.618 1.00 3.94 O ATOM 24 CB MET A 3 17.600 -19.807 -1.752 1.00 4.96 C ATOM 25 CG MET A 3 16.889 -20.572 -2.882 1.00 5.72 C ATOM 26 SD MET A 3 16.689 -22.326 -2.505 1.00 6.64 S ATOM 27 CE MET A 3 15.808 -22.899 -3.958 1.00 7.64 C ATOM 0 H MET A 3 18.495 -17.570 -0.148 1.00 4.80 H new ATOM 0 HA MET A 3 18.009 -18.096 -3.015 1.00 4.18 H new ATOM 0 HB2 MET A 3 18.598 -20.226 -1.622 1.00 4.96 H new ATOM 0 HB3 MET A 3 17.059 -19.977 -0.821 1.00 4.96 H new ATOM 0 HG2 MET A 3 15.910 -20.127 -3.058 1.00 5.72 H new ATOM 0 HG3 MET A 3 17.459 -20.464 -3.805 1.00 5.72 H new ATOM 0 HE1 MET A 3 15.614 -23.968 -3.868 1.00 7.64 H new ATOM 0 HE2 MET A 3 14.862 -22.364 -4.044 1.00 7.64 H new ATOM 0 HE3 MET A 3 16.412 -22.714 -4.846 1.00 7.64 H new ATOM 37 N SER A 4 15.789 -17.763 -0.527 1.00 2.65 N ATOM 38 CA SER A 4 14.496 -17.152 -0.165 1.00 2.27 C ATOM 39 C SER A 4 14.536 -16.528 1.240 1.00 1.31 C ATOM 40 O SER A 4 14.756 -17.226 2.239 1.00 0.88 O ATOM 41 CB SER A 4 13.368 -18.194 -0.232 1.00 2.95 C ATOM 42 OG SER A 4 12.907 -18.376 -1.562 1.00 3.86 O ATOM 0 H SER A 4 16.197 -18.336 0.211 1.00 2.65 H new ATOM 0 HA SER A 4 14.301 -16.359 -0.887 1.00 2.27 H new ATOM 0 HB2 SER A 4 13.725 -19.145 0.164 1.00 2.95 H new ATOM 0 HB3 SER A 4 12.540 -17.876 0.401 1.00 2.95 H new ATOM 0 HG SER A 4 12.191 -19.046 -1.571 1.00 3.86 H new ATOM 48 N GLY A 5 14.311 -15.206 1.298 1.00 1.11 N ATOM 49 CA GLY A 5 14.320 -14.489 2.571 1.00 0.31 C ATOM 50 C GLY A 5 13.647 -13.122 2.499 1.00 0.28 C ATOM 51 O GLY A 5 14.314 -12.113 2.272 1.00 0.31 O ATOM 0 H GLY A 5 14.123 -14.622 0.484 1.00 1.11 H new ATOM 0 HA2 GLY A 5 13.817 -15.095 3.325 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.351 -14.362 2.901 1.00 0.31 H new ATOM 55 N LEU A 6 12.308 -13.103 2.691 1.00 0.23 N ATOM 56 CA LEU A 6 11.482 -11.863 2.667 1.00 0.22 C ATOM 57 C LEU A 6 11.373 -11.169 4.066 1.00 0.17 C ATOM 58 O LEU A 6 11.562 -9.945 4.188 1.00 0.16 O ATOM 59 CB LEU A 6 10.088 -12.223 2.095 1.00 0.24 C ATOM 60 CG LEU A 6 9.156 -11.050 1.669 1.00 0.27 C ATOM 61 CD1 LEU A 6 9.818 -10.061 0.705 1.00 0.33 C ATOM 62 CD2 LEU A 6 7.842 -11.540 1.047 1.00 0.35 C ATOM 0 H LEU A 6 11.764 -13.947 2.868 1.00 0.23 H new ATOM 0 HA LEU A 6 11.973 -11.129 2.028 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.237 -12.865 1.227 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.561 -12.815 2.843 1.00 0.24 H new ATOM 0 HG LEU A 6 8.943 -10.527 2.601 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.111 -9.271 0.451 1.00 0.33 H new ATOM 0 HD12 LEU A 6 10.696 -9.623 1.179 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.119 -10.584 -0.203 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.230 -10.683 0.768 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.059 -12.135 0.160 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.303 -12.151 1.771 1.00 0.35 H new ATOM 74 N ALA A 7 11.056 -11.992 5.111 1.00 0.17 N ATOM 75 CA ALA A 7 10.951 -11.585 6.561 1.00 0.16 C ATOM 76 C ALA A 7 12.265 -10.978 7.194 1.00 0.15 C ATOM 77 O ALA A 7 12.198 -10.193 8.150 1.00 0.15 O ATOM 78 CB ALA A 7 10.499 -12.818 7.375 1.00 0.20 C ATOM 0 H ALA A 7 10.860 -12.983 4.972 1.00 0.17 H new ATOM 0 HA ALA A 7 10.226 -10.772 6.600 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.416 -12.548 8.428 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.530 -13.160 7.010 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.232 -13.617 7.262 1.00 0.20 H new ATOM 84 N ASP A 8 13.453 -11.331 6.617 1.00 0.16 N ATOM 85 CA ASP A 8 14.778 -10.823 7.066 1.00 0.18 C ATOM 86 C ASP A 8 15.183 -9.462 6.407 1.00 0.17 C ATOM 87 O ASP A 8 16.168 -8.847 6.827 1.00 0.21 O ATOM 88 CB ASP A 8 15.865 -11.873 6.780 1.00 0.21 C ATOM 89 CG ASP A 8 16.225 -12.710 8.002 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.490 -13.674 8.300 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.245 -12.398 8.655 1.00 0.32 O ATOM 0 H ASP A 8 13.514 -11.975 5.829 1.00 0.16 H new ATOM 0 HA ASP A 8 14.689 -10.641 8.137 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.523 -12.533 5.983 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.760 -11.370 6.415 1.00 0.21 H new ATOM 96 N LYS A 9 14.413 -9.006 5.383 1.00 0.14 N ATOM 97 CA LYS A 9 14.688 -7.732 4.682 1.00 0.14 C ATOM 98 C LYS A 9 13.681 -6.604 5.028 1.00 0.10 C ATOM 99 O LYS A 9 14.045 -5.438 4.884 1.00 0.10 O ATOM 100 CB LYS A 9 14.733 -7.907 3.143 1.00 0.19 C ATOM 101 CG LYS A 9 15.350 -9.235 2.642 1.00 0.32 C ATOM 102 CD LYS A 9 16.862 -9.354 2.954 1.00 0.92 C ATOM 103 CE LYS A 9 17.473 -10.639 2.367 1.00 1.20 C ATOM 104 NZ LYS A 9 17.381 -10.667 0.881 1.00 1.73 N ATOM 0 H LYS A 9 13.598 -9.505 5.028 1.00 0.14 H new ATOM 0 HA LYS A 9 15.671 -7.431 5.044 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.717 -7.830 2.756 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.300 -7.079 2.717 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.823 -10.071 3.102 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.199 -9.316 1.566 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.385 -8.487 2.550 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.011 -9.342 4.034 1.00 0.92 H new ATOM 0 HE2 LYS A 9 18.518 -10.715 2.668 1.00 1.20 H new ATOM 0 HE3 LYS A 9 16.959 -11.507 2.779 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 17.975 -11.437 0.511 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 16.393 -10.825 0.597 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 17.711 -9.759 0.496 1.00 1.73 H new ATOM 118 N VAL A 10 12.406 -6.934 5.467 1.00 0.09 N ATOM 119 CA VAL A 10 11.362 -5.906 5.872 1.00 0.07 C ATOM 120 C VAL A 10 11.843 -4.823 6.938 1.00 0.06 C ATOM 121 O VAL A 10 12.495 -5.149 7.939 1.00 0.09 O ATOM 122 CB VAL A 10 9.982 -6.644 6.285 1.00 0.08 C ATOM 123 CG1 VAL A 10 9.990 -7.412 7.651 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.739 -5.702 6.223 1.00 0.10 C ATOM 0 H VAL A 10 12.080 -7.897 5.548 1.00 0.09 H new ATOM 0 HA VAL A 10 11.179 -5.297 4.987 1.00 0.07 H new ATOM 0 HB VAL A 10 9.900 -7.408 5.512 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.013 -7.865 7.820 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.752 -8.191 7.626 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.211 -6.715 8.459 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.847 -6.258 6.511 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.882 -4.865 6.907 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.619 -5.324 5.208 1.00 0.10 H new ATOM 134 N ILE A 11 11.498 -3.553 6.661 1.00 0.06 N ATOM 135 CA ILE A 11 11.846 -2.435 7.574 1.00 0.07 C ATOM 136 C ILE A 11 10.591 -1.692 8.090 1.00 0.07 C ATOM 137 O ILE A 11 10.604 -1.174 9.211 1.00 0.08 O ATOM 138 CB ILE A 11 12.847 -1.376 6.953 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.446 -0.981 5.488 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.326 -1.888 7.034 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.593 0.510 5.149 1.00 0.16 C ATOM 0 H ILE A 11 10.985 -3.271 5.825 1.00 0.06 H new ATOM 0 HA ILE A 11 12.356 -2.923 8.404 1.00 0.07 H new ATOM 0 HB ILE A 11 12.778 -0.468 7.551 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.057 -1.557 4.793 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.410 -1.275 5.320 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.993 -1.143 6.601 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.597 -2.055 8.077 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.418 -2.823 6.481 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.291 0.680 4.115 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.960 1.098 5.813 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.632 0.812 5.278 1.00 0.16 H new ATOM 153 N TRP A 12 9.508 -1.649 7.271 1.00 0.06 N ATOM 154 CA TRP A 12 8.273 -0.945 7.649 1.00 0.07 C ATOM 155 C TRP A 12 7.065 -1.425 6.788 1.00 0.08 C ATOM 156 O TRP A 12 7.086 -1.311 5.573 1.00 0.10 O ATOM 157 CB TRP A 12 8.554 0.570 7.493 1.00 0.10 C ATOM 158 CG TRP A 12 7.514 1.480 8.066 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.486 2.075 9.296 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.351 1.897 7.387 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.352 2.841 9.411 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.637 2.738 8.242 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.860 1.620 6.123 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.435 3.309 7.858 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.688 2.169 5.733 1.00 0.51 C ATOM 166 CH2 TRP A 12 3.968 3.015 6.592 1.00 0.54 C ATOM 0 H TRP A 12 9.473 -2.093 6.353 1.00 0.06 H new ATOM 0 HA TRP A 12 7.994 -1.162 8.680 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.510 0.795 7.966 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.663 0.794 6.432 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.240 1.960 10.061 1.00 0.19 H new ATOM 0 HE1 TRP A 12 6.086 3.393 10.226 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.408 0.972 5.455 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.885 3.959 8.522 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.300 1.954 4.748 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.034 3.442 6.257 1.00 0.54 H new ATOM 177 N ALA A 13 6.000 -1.994 7.426 1.00 0.09 N ATOM 178 CA ALA A 13 4.771 -2.464 6.691 1.00 0.12 C ATOM 179 C ALA A 13 3.479 -2.089 7.458 1.00 0.16 C ATOM 180 O ALA A 13 3.353 -2.378 8.662 1.00 0.19 O ATOM 181 CB ALA A 13 4.802 -3.995 6.406 1.00 0.14 C ATOM 0 H ALA A 13 5.961 -2.140 8.435 1.00 0.09 H new ATOM 0 HA ALA A 13 4.770 -1.949 5.730 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.895 -4.285 5.875 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.672 -4.234 5.795 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.860 -4.539 7.349 1.00 0.14 H new ATOM 187 N VAL A 14 2.506 -1.422 6.766 1.00 0.20 N ATOM 188 CA VAL A 14 1.236 -0.985 7.432 1.00 0.26 C ATOM 189 C VAL A 14 -0.057 -1.239 6.561 1.00 0.27 C ATOM 190 O VAL A 14 -0.142 -0.831 5.404 1.00 0.28 O ATOM 191 CB VAL A 14 1.317 0.568 7.970 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.013 1.178 8.490 1.00 0.80 C ATOM 193 CG2 VAL A 14 2.299 0.739 9.144 1.00 1.05 C ATOM 0 H VAL A 14 2.571 -1.181 5.777 1.00 0.20 H new ATOM 0 HA VAL A 14 1.134 -1.628 8.306 1.00 0.26 H new ATOM 0 HB VAL A 14 1.632 1.085 7.064 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.160 2.203 8.818 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -0.753 1.173 7.690 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.381 0.586 9.328 1.00 0.80 H new ATOM 0 HG21 VAL A 14 2.312 1.783 9.458 1.00 1.05 H new ATOM 0 HG22 VAL A 14 1.982 0.113 9.978 1.00 1.05 H new ATOM 0 HG23 VAL A 14 3.299 0.443 8.828 1.00 1.05 H new ATOM 203 N ASN A 15 -1.073 -1.887 7.202 1.00 0.33 N ATOM 204 CA ASN A 15 -2.421 -2.090 6.606 1.00 0.43 C ATOM 205 C ASN A 15 -3.440 -1.310 7.476 1.00 0.46 C ATOM 206 O ASN A 15 -3.796 -1.754 8.562 1.00 0.55 O ATOM 207 CB ASN A 15 -2.841 -3.612 6.454 1.00 0.56 C ATOM 208 CG ASN A 15 -4.107 -3.855 5.612 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.870 -4.771 5.897 1.00 2.05 O ATOM 210 ND2 ASN A 15 -4.348 -3.025 4.611 1.00 2.11 N ATOM 0 H ASN A 15 -0.978 -2.279 8.139 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.402 -1.712 5.584 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.013 -4.159 6.004 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -2.997 -4.031 7.448 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.191 -3.136 4.048 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -3.691 -2.273 4.402 1.00 2.11 H new ATOM 217 N ALA A 16 -3.942 -0.159 6.955 1.00 0.47 N ATOM 218 CA ALA A 16 -4.926 0.689 7.683 1.00 0.54 C ATOM 219 C ALA A 16 -6.366 0.099 7.597 1.00 0.58 C ATOM 220 O ALA A 16 -7.056 0.179 6.555 1.00 0.63 O ATOM 221 CB ALA A 16 -4.860 2.151 7.178 1.00 0.59 C ATOM 0 H ALA A 16 -3.683 0.203 6.037 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.658 0.693 8.740 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.586 2.757 7.721 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.859 2.549 7.344 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -5.089 2.179 6.113 1.00 0.59 H new ATOM 227 N GLY A 17 -6.749 -0.574 8.702 1.00 0.58 N ATOM 228 CA GLY A 17 -8.054 -1.220 8.782 1.00 0.61 C ATOM 229 C GLY A 17 -8.340 -1.981 10.068 1.00 0.62 C ATOM 230 O GLY A 17 -9.332 -1.703 10.744 1.00 0.71 O ATOM 0 H GLY A 17 -6.173 -0.678 9.537 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.823 -0.459 8.654 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.148 -1.912 7.945 1.00 0.61 H new ATOM 234 N GLY A 18 -7.458 -2.939 10.408 1.00 0.72 N ATOM 235 CA GLY A 18 -7.658 -3.783 11.596 1.00 0.73 C ATOM 236 C GLY A 18 -6.654 -3.535 12.719 1.00 0.68 C ATOM 237 O GLY A 18 -6.624 -2.439 13.288 1.00 0.80 O ATOM 0 H GLY A 18 -6.609 -3.145 9.882 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.664 -3.616 11.981 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.600 -4.830 11.298 1.00 0.73 H new ATOM 241 N GLU A 19 -5.832 -4.559 13.042 1.00 0.59 N ATOM 242 CA GLU A 19 -4.797 -4.461 14.097 1.00 0.60 C ATOM 243 C GLU A 19 -3.788 -5.621 14.009 1.00 0.54 C ATOM 244 O GLU A 19 -4.152 -6.783 14.220 1.00 0.65 O ATOM 245 CB GLU A 19 -5.436 -4.483 15.513 1.00 0.77 C ATOM 246 CG GLU A 19 -5.766 -3.107 16.113 1.00 1.43 C ATOM 247 CD GLU A 19 -6.463 -3.215 17.458 1.00 1.39 C ATOM 248 OE1 GLU A 19 -7.710 -3.283 17.478 1.00 1.50 O ATOM 249 OE2 GLU A 19 -5.763 -3.232 18.491 1.00 1.63 O ATOM 0 H GLU A 19 -5.866 -5.469 12.583 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.281 -3.515 13.936 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.353 -5.070 15.469 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -4.758 -5.002 16.190 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -4.846 -2.534 16.228 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -6.401 -2.554 15.421 1.00 1.43 H new ATOM 256 N SER A 20 -2.494 -5.261 13.727 1.00 0.48 N ATOM 257 CA SER A 20 -1.284 -6.175 13.616 1.00 0.45 C ATOM 258 C SER A 20 -1.436 -7.518 12.837 1.00 0.43 C ATOM 259 O SER A 20 -2.076 -8.451 13.339 1.00 0.51 O ATOM 260 CB SER A 20 -0.737 -6.491 15.014 1.00 0.52 C ATOM 261 OG SER A 20 0.316 -5.610 15.365 1.00 1.00 O ATOM 0 H SER A 20 -2.245 -4.286 13.562 1.00 0.48 H new ATOM 0 HA SER A 20 -0.604 -5.585 13.002 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.540 -6.413 15.747 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.378 -7.520 15.043 1.00 0.52 H new ATOM 0 HG SER A 20 0.786 -5.322 14.554 1.00 1.00 H new ATOM 267 N HIS A 21 -0.829 -7.630 11.635 1.00 0.39 N ATOM 268 CA HIS A 21 -0.921 -8.924 10.891 1.00 0.40 C ATOM 269 C HIS A 21 0.412 -9.392 10.287 1.00 0.40 C ATOM 270 O HIS A 21 1.092 -8.660 9.580 1.00 0.41 O ATOM 271 CB HIS A 21 -2.024 -8.920 9.785 1.00 0.43 C ATOM 272 CG HIS A 21 -2.142 -10.237 9.014 1.00 0.41 C ATOM 273 ND1 HIS A 21 -2.882 -11.311 9.463 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.542 -10.673 7.863 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.721 -12.328 8.626 1.00 0.40 C ATOM 276 NE2 HIS A 21 -1.916 -11.960 7.667 1.00 0.43 N ATOM 0 H HIS A 21 -0.297 -6.892 11.173 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.205 -9.642 11.660 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -2.985 -8.695 10.247 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -1.813 -8.116 9.080 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -0.889 -10.095 7.226 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.181 -13.301 8.723 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.615 -12.550 6.891 1.00 0.43 H new ATOM 285 N VAL A 22 0.692 -10.689 10.522 1.00 0.41 N ATOM 286 CA VAL A 22 1.884 -11.384 9.994 1.00 0.43 C ATOM 287 C VAL A 22 1.436 -12.382 8.858 1.00 0.44 C ATOM 288 O VAL A 22 0.703 -13.349 9.099 1.00 0.48 O ATOM 289 CB VAL A 22 2.805 -12.003 11.190 1.00 0.49 C ATOM 290 CG1 VAL A 22 2.185 -13.179 12.006 1.00 1.38 C ATOM 291 CG2 VAL A 22 4.229 -12.402 10.721 1.00 1.39 C ATOM 0 H VAL A 22 0.093 -11.289 11.088 1.00 0.41 H new ATOM 0 HA VAL A 22 2.566 -10.682 9.514 1.00 0.43 H new ATOM 0 HB VAL A 22 2.864 -11.158 11.876 1.00 0.49 H new ATOM 0 HG11 VAL A 22 2.891 -13.504 12.770 1.00 1.38 H new ATOM 0 HG12 VAL A 22 1.263 -12.845 12.482 1.00 1.38 H new ATOM 0 HG13 VAL A 22 1.967 -14.011 11.337 1.00 1.38 H new ATOM 0 HG21 VAL A 22 4.790 -12.806 11.564 1.00 1.39 H new ATOM 0 HG22 VAL A 22 4.156 -13.157 9.938 1.00 1.39 H new ATOM 0 HG23 VAL A 22 4.743 -11.523 10.331 1.00 1.39 H new ATOM 301 N ASP A 23 1.889 -12.088 7.618 1.00 0.41 N ATOM 302 CA ASP A 23 1.545 -12.904 6.423 1.00 0.44 C ATOM 303 C ASP A 23 2.483 -14.141 6.236 1.00 0.43 C ATOM 304 O ASP A 23 3.571 -14.180 6.824 1.00 0.41 O ATOM 305 CB ASP A 23 1.395 -11.980 5.138 1.00 0.49 C ATOM 306 CG ASP A 23 2.663 -11.570 4.345 1.00 1.04 C ATOM 307 OD1 ASP A 23 3.732 -12.162 4.608 1.00 1.46 O ATOM 308 OD2 ASP A 23 2.585 -10.659 3.494 1.00 1.85 O ATOM 0 H ASP A 23 2.494 -11.292 7.415 1.00 0.41 H new ATOM 0 HA ASP A 23 0.566 -13.354 6.588 1.00 0.44 H new ATOM 0 HB2 ASP A 23 0.726 -12.489 4.445 1.00 0.49 H new ATOM 0 HB3 ASP A 23 0.894 -11.064 5.450 1.00 0.49 H new ATOM 313 N VAL A 24 2.046 -15.066 5.321 1.00 0.47 N ATOM 314 CA VAL A 24 2.696 -16.417 4.970 1.00 0.50 C ATOM 315 C VAL A 24 4.251 -16.480 4.790 1.00 0.47 C ATOM 316 O VAL A 24 4.859 -17.499 5.135 1.00 0.51 O ATOM 317 CB VAL A 24 2.017 -17.165 3.717 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.798 -18.005 4.139 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.582 -16.237 2.540 1.00 0.58 C ATOM 0 H VAL A 24 1.200 -14.904 4.775 1.00 0.47 H new ATOM 0 HA VAL A 24 2.488 -16.940 5.904 1.00 0.50 H new ATOM 0 HB VAL A 24 2.821 -17.801 3.347 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.371 -18.492 3.262 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.109 -18.762 4.859 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.050 -17.357 4.595 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.137 -16.839 1.748 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.852 -15.512 2.899 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.454 -15.711 2.150 1.00 0.58 H new ATOM 329 N HIS A 25 4.869 -15.412 4.256 1.00 0.42 N ATOM 330 CA HIS A 25 6.350 -15.334 4.106 1.00 0.40 C ATOM 331 C HIS A 25 7.014 -14.764 5.402 1.00 0.36 C ATOM 332 O HIS A 25 8.177 -15.047 5.702 1.00 0.39 O ATOM 333 CB HIS A 25 6.729 -14.460 2.899 1.00 0.38 C ATOM 334 CG HIS A 25 5.936 -14.739 1.647 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.230 -15.772 0.781 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.856 -14.108 1.122 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.366 -15.761 -0.222 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.523 -14.764 -0.036 1.00 0.51 N ATOM 0 H HIS A 25 4.374 -14.586 3.918 1.00 0.42 H new ATOM 0 HA HIS A 25 6.720 -16.346 3.940 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.598 -13.413 3.170 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.788 -14.603 2.682 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.352 -13.249 1.538 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.354 -16.452 -1.052 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.749 -14.520 -0.653 1.00 0.51 H new ATOM 347 N GLY A 26 6.218 -13.956 6.141 1.00 0.34 N ATOM 348 CA GLY A 26 6.609 -13.360 7.412 1.00 0.32 C ATOM 349 C GLY A 26 6.621 -11.839 7.414 1.00 0.27 C ATOM 350 O GLY A 26 7.555 -11.224 7.931 1.00 0.26 O ATOM 0 H GLY A 26 5.272 -13.704 5.854 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.926 -13.707 8.188 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.603 -13.720 7.678 1.00 0.32 H new ATOM 354 N ILE A 27 5.560 -11.229 6.850 1.00 0.26 N ATOM 355 CA ILE A 27 5.453 -9.748 6.783 1.00 0.23 C ATOM 356 C ILE A 27 4.373 -9.238 7.805 1.00 0.26 C ATOM 357 O ILE A 27 3.182 -9.506 7.653 1.00 0.33 O ATOM 358 CB ILE A 27 5.242 -9.278 5.257 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.492 -9.596 4.333 1.00 0.18 C ATOM 360 CG2 ILE A 27 4.858 -7.776 5.035 1.00 0.26 C ATOM 361 CD1 ILE A 27 7.901 -9.248 4.836 1.00 0.55 C ATOM 0 H ILE A 27 4.771 -11.727 6.437 1.00 0.26 H new ATOM 0 HA ILE A 27 6.383 -9.274 7.097 1.00 0.23 H new ATOM 0 HB ILE A 27 4.378 -9.877 4.970 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.476 -10.664 4.114 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.343 -9.075 3.387 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.744 -7.583 3.968 1.00 0.26 H new ATOM 0 HG22 ILE A 27 3.919 -7.561 5.545 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.644 -7.136 5.437 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.636 -9.531 4.083 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.966 -8.176 5.022 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.101 -9.790 5.760 1.00 0.55 H new ATOM 373 N HIS A 28 4.832 -8.452 8.799 1.00 0.25 N ATOM 374 CA HIS A 28 3.965 -7.936 9.878 1.00 0.30 C ATOM 375 C HIS A 28 3.659 -6.410 9.807 1.00 0.28 C ATOM 376 O HIS A 28 4.555 -5.581 9.617 1.00 0.28 O ATOM 377 CB HIS A 28 4.640 -8.269 11.223 1.00 0.40 C ATOM 378 CG HIS A 28 3.723 -8.432 12.412 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.845 -9.475 13.308 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.693 -7.676 12.864 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.933 -9.351 14.256 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.222 -8.268 14.009 1.00 1.34 N ATOM 0 H HIS A 28 5.806 -8.159 8.877 1.00 0.25 H new ATOM 0 HA HIS A 28 2.995 -8.421 9.765 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.208 -9.191 11.101 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.357 -7.480 11.450 1.00 0.40 H new ATOM 0 HD1 HIS A 28 4.533 -10.226 13.248 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.313 -6.774 12.407 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.794 -10.022 15.091 1.00 1.30 H new ATOM 391 N TYR A 29 2.349 -6.081 9.986 1.00 0.33 N ATOM 392 CA TYR A 29 1.833 -4.691 10.033 1.00 0.38 C ATOM 393 C TYR A 29 1.671 -4.212 11.509 1.00 0.45 C ATOM 394 O TYR A 29 1.170 -4.963 12.362 1.00 0.46 O ATOM 395 CB TYR A 29 0.483 -4.588 9.206 1.00 0.45 C ATOM 396 CG TYR A 29 -0.768 -3.970 9.903 1.00 0.98 C ATOM 397 CD1 TYR A 29 -0.781 -2.631 10.303 1.00 1.31 C ATOM 398 CD2 TYR A 29 -1.934 -4.711 10.137 1.00 1.34 C ATOM 399 CE1 TYR A 29 -1.876 -2.063 10.902 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.042 -4.127 10.737 1.00 1.91 C ATOM 401 CZ TYR A 29 -2.993 -2.802 11.115 1.00 2.21 C ATOM 402 OH TYR A 29 -4.070 -2.200 11.698 1.00 2.79 O ATOM 0 H TYR A 29 1.618 -6.783 10.102 1.00 0.33 H new ATOM 0 HA TYR A 29 2.554 -4.020 9.566 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.687 -4.003 8.309 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.218 -5.593 8.877 1.00 0.45 H new ATOM 0 HD1 TYR A 29 0.097 -2.026 10.135 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -1.972 -5.751 9.847 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -1.849 -1.027 11.204 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -3.937 -4.707 10.907 1.00 1.91 H new ATOM 0 HH TYR A 29 -4.838 -2.244 11.091 1.00 2.79 H new ATOM 412 N ARG A 30 2.030 -2.915 11.737 1.00 0.54 N ATOM 413 CA ARG A 30 1.983 -2.232 13.071 1.00 0.63 C ATOM 414 C ARG A 30 0.618 -1.538 13.333 1.00 0.91 C ATOM 415 O ARG A 30 0.157 -0.733 12.523 1.00 1.87 O ATOM 416 CB ARG A 30 3.095 -1.160 13.163 1.00 0.72 C ATOM 417 CG ARG A 30 4.409 -1.517 12.431 1.00 0.68 C ATOM 418 CD ARG A 30 5.416 -0.352 12.410 1.00 0.87 C ATOM 419 NE ARG A 30 6.075 -0.175 13.704 1.00 1.70 N ATOM 420 CZ ARG A 30 7.007 0.745 13.939 1.00 2.08 C ATOM 421 NH1 ARG A 30 7.392 1.568 12.971 1.00 1.93 N ATOM 422 NH2 ARG A 30 7.556 0.843 15.142 1.00 3.00 N ATOM 0 H ARG A 30 2.365 -2.304 10.992 1.00 0.54 H new ATOM 0 HA ARG A 30 2.129 -3.008 13.822 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.712 -0.225 12.755 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.320 -0.980 14.214 1.00 0.72 H new ATOM 0 HG2 ARG A 30 4.867 -2.379 12.916 1.00 0.68 H new ATOM 0 HG3 ARG A 30 4.180 -1.812 11.407 1.00 0.68 H new ATOM 0 HD2 ARG A 30 6.168 -0.536 11.642 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.900 0.568 12.137 1.00 0.87 H new ATOM 0 HE ARG A 30 5.805 -0.792 14.470 1.00 1.70 H new ATOM 0 HH11 ARG A 30 6.973 1.496 12.044 1.00 1.93 H new ATOM 0 HH12 ARG A 30 8.107 2.272 13.155 1.00 1.93 H new ATOM 0 HH21 ARG A 30 7.264 0.213 15.889 1.00 3.00 H new ATOM 0 HH22 ARG A 30 8.270 1.549 15.321 1.00 3.00 H new ATOM 436 N LYS A 31 0.043 -1.813 14.527 1.00 0.57 N ATOM 437 CA LYS A 31 -1.310 -1.337 14.997 1.00 0.59 C ATOM 438 C LYS A 31 -1.603 0.192 15.029 1.00 0.64 C ATOM 439 O LYS A 31 -0.995 0.946 15.794 1.00 0.79 O ATOM 440 CB LYS A 31 -1.562 -1.875 16.420 1.00 0.73 C ATOM 441 CG LYS A 31 -1.643 -3.410 16.521 1.00 1.15 C ATOM 442 CD LYS A 31 -2.156 -3.916 17.898 1.00 1.44 C ATOM 443 CE LYS A 31 -1.260 -3.497 19.083 1.00 1.70 C ATOM 444 NZ LYS A 31 -1.544 -2.106 19.538 1.00 2.30 N ATOM 0 H LYS A 31 0.512 -2.391 15.225 1.00 0.57 H new ATOM 0 HA LYS A 31 -1.975 -1.725 14.225 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -0.764 -1.523 17.074 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -2.493 -1.450 16.795 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.302 -3.783 15.737 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -0.655 -3.831 16.334 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -3.164 -3.535 18.063 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -2.226 -5.003 17.873 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -1.412 -4.187 19.913 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -0.213 -3.575 18.790 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -0.705 -1.512 19.382 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -2.346 -1.721 18.999 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -1.780 -2.113 20.551 1.00 2.30 H new ATOM 458 N ASP A 32 -2.588 0.588 14.161 1.00 0.61 N ATOM 459 CA ASP A 32 -3.178 1.985 13.991 1.00 0.72 C ATOM 460 C ASP A 32 -2.206 3.223 14.036 1.00 0.75 C ATOM 461 O ASP A 32 -2.400 4.121 14.859 1.00 1.00 O ATOM 462 CB ASP A 32 -4.298 2.184 15.041 1.00 0.86 C ATOM 463 CG ASP A 32 -5.656 1.646 14.600 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.754 0.429 14.334 1.00 1.01 O ATOM 465 OD2 ASP A 32 -6.615 2.443 14.521 1.00 1.17 O ATOM 0 H ASP A 32 -3.022 -0.080 13.524 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.531 1.986 12.960 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.006 1.691 15.968 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.393 3.247 15.261 1.00 0.86 H new ATOM 470 N PRO A 33 -1.163 3.301 13.159 1.00 0.59 N ATOM 471 CA PRO A 33 -0.198 4.434 13.153 1.00 0.66 C ATOM 472 C PRO A 33 -0.396 5.507 12.026 1.00 0.83 C ATOM 473 O PRO A 33 0.511 5.737 11.215 1.00 1.45 O ATOM 474 CB PRO A 33 1.101 3.648 12.941 1.00 0.59 C ATOM 475 CG PRO A 33 0.713 2.611 11.909 1.00 0.57 C ATOM 476 CD PRO A 33 -0.762 2.272 12.169 1.00 0.49 C ATOM 0 HA PRO A 33 -0.274 5.053 14.047 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.906 4.290 12.584 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.448 3.186 13.865 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.851 2.998 10.899 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.337 1.722 11.998 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.358 2.332 11.258 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -0.882 1.263 12.563 1.00 0.49 H new ATOM 484 N LEU A 34 -1.574 6.158 11.990 1.00 0.72 N ATOM 485 CA LEU A 34 -1.865 7.195 10.969 1.00 0.91 C ATOM 486 C LEU A 34 -2.760 8.341 11.517 1.00 1.43 C ATOM 487 O LEU A 34 -2.295 9.480 11.613 1.00 1.91 O ATOM 488 CB LEU A 34 -2.462 6.526 9.686 1.00 1.02 C ATOM 489 CG LEU A 34 -3.247 7.420 8.682 1.00 0.88 C ATOM 490 CD1 LEU A 34 -2.516 7.524 7.360 1.00 1.67 C ATOM 491 CD2 LEU A 34 -4.649 6.881 8.423 1.00 1.33 C ATOM 0 H LEU A 34 -2.336 5.990 12.647 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.925 7.675 10.696 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -1.641 6.059 9.143 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -3.128 5.725 10.008 1.00 1.02 H new ATOM 0 HG LEU A 34 -3.324 8.407 9.139 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -3.086 8.154 6.677 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -1.532 7.963 7.522 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -2.403 6.530 6.927 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -5.165 7.532 7.717 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -4.581 5.876 8.006 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -5.205 6.848 9.360 1.00 1.33 H new ATOM 503 N GLU A 35 -4.036 8.044 11.872 1.00 1.77 N ATOM 504 CA GLU A 35 -4.970 9.078 12.381 1.00 2.54 C ATOM 505 C GLU A 35 -5.227 8.952 13.886 1.00 2.66 C ATOM 506 O GLU A 35 -6.062 8.157 14.335 1.00 3.33 O ATOM 507 CB GLU A 35 -6.307 9.029 11.618 1.00 3.34 C ATOM 508 CG GLU A 35 -6.394 9.995 10.437 1.00 3.49 C ATOM 509 CD GLU A 35 -7.756 9.977 9.770 1.00 4.38 C ATOM 510 OE1 GLU A 35 -8.639 10.749 10.199 1.00 4.84 O ATOM 511 OE2 GLU A 35 -7.940 9.190 8.816 1.00 4.80 O ATOM 0 H GLU A 35 -4.437 7.108 11.816 1.00 1.77 H new ATOM 0 HA GLU A 35 -4.488 10.041 12.210 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -6.467 8.014 11.254 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -7.117 9.250 12.313 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -6.175 11.006 10.782 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -5.630 9.736 9.703 1.00 3.49 H new ATOM 518 N GLY A 36 -4.471 9.759 14.655 1.00 2.22 N ATOM 519 CA GLY A 36 -4.560 9.766 16.126 1.00 2.37 C ATOM 520 C GLY A 36 -3.468 8.928 16.824 1.00 1.99 C ATOM 521 O GLY A 36 -3.061 9.250 17.943 1.00 2.30 O ATOM 0 H GLY A 36 -3.789 10.417 14.278 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -4.495 10.795 16.479 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -5.539 9.388 16.423 1.00 2.37 H new ATOM 525 N ARG A 37 -3.014 7.833 16.133 1.00 1.73 N ATOM 526 CA ARG A 37 -1.954 6.866 16.598 1.00 2.21 C ATOM 527 C ARG A 37 -2.415 5.803 17.655 1.00 2.05 C ATOM 528 O ARG A 37 -1.748 4.777 17.816 1.00 2.64 O ATOM 529 CB ARG A 37 -0.679 7.593 17.095 1.00 3.16 C ATOM 530 CG ARG A 37 0.310 8.041 15.983 1.00 3.40 C ATOM 531 CD ARG A 37 -0.319 8.983 14.937 1.00 3.20 C ATOM 532 NE ARG A 37 0.705 9.670 14.153 1.00 3.69 N ATOM 533 CZ ARG A 37 0.481 10.767 13.432 1.00 3.94 C ATOM 534 NH1 ARG A 37 -0.732 11.303 13.385 1.00 3.94 N ATOM 535 NH2 ARG A 37 1.473 11.329 12.756 1.00 4.50 N ATOM 0 H ARG A 37 -3.383 7.590 15.214 1.00 1.73 H new ATOM 0 HA ARG A 37 -1.726 6.298 15.696 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -0.981 8.472 17.664 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -0.150 6.934 17.783 1.00 3.16 H new ATOM 0 HG2 ARG A 37 1.160 8.542 16.446 1.00 3.40 H new ATOM 0 HG3 ARG A 37 0.698 7.157 15.476 1.00 3.40 H new ATOM 0 HD2 ARG A 37 -0.965 8.410 14.272 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -0.949 9.718 15.439 1.00 3.20 H new ATOM 0 HE ARG A 37 1.650 9.286 14.158 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -1.499 10.875 13.903 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -0.897 12.143 12.831 1.00 3.94 H new ATOM 0 HH21 ARG A 37 2.407 10.921 12.788 1.00 4.50 H new ATOM 0 HH22 ARG A 37 1.302 12.169 12.204 1.00 4.50 H new ATOM 549 N VAL A 38 -3.543 6.050 18.359 1.00 1.67 N ATOM 550 CA VAL A 38 -4.090 5.107 19.377 1.00 1.61 C ATOM 551 C VAL A 38 -5.619 4.925 19.187 1.00 1.73 C ATOM 552 O VAL A 38 -6.392 5.883 19.327 1.00 2.44 O ATOM 553 CB VAL A 38 -3.779 5.464 20.917 1.00 2.08 C ATOM 554 CG1 VAL A 38 -2.516 4.734 21.416 1.00 2.70 C ATOM 555 CG2 VAL A 38 -3.633 6.986 21.250 1.00 2.63 C ATOM 0 H VAL A 38 -4.099 6.897 18.244 1.00 1.67 H new ATOM 0 HA VAL A 38 -3.553 4.178 19.187 1.00 1.61 H new ATOM 0 HB VAL A 38 -4.672 5.119 21.438 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -2.333 4.995 22.458 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -2.661 3.657 21.332 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -1.660 5.033 20.811 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -3.425 7.108 22.313 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -2.813 7.408 20.669 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -4.559 7.504 21.000 1.00 2.63 H new ATOM 565 N GLY A 39 -6.035 3.688 18.875 1.00 1.64 N ATOM 566 CA GLY A 39 -7.454 3.398 18.668 1.00 1.95 C ATOM 567 C GLY A 39 -7.802 1.910 18.712 1.00 1.52 C ATOM 568 O GLY A 39 -7.289 1.159 19.552 1.00 1.67 O ATOM 0 H GLY A 39 -5.416 2.885 18.763 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -8.035 3.918 19.430 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -7.759 3.803 17.703 1.00 1.95 H new ATOM 572 N ARG A 40 -8.702 1.497 17.803 1.00 1.49 N ATOM 573 CA ARG A 40 -9.169 0.096 17.714 1.00 1.54 C ATOM 574 C ARG A 40 -9.317 -0.385 16.241 1.00 1.40 C ATOM 575 O ARG A 40 -8.909 0.299 15.292 1.00 1.40 O ATOM 576 CB ARG A 40 -10.527 -0.042 18.452 1.00 2.19 C ATOM 577 CG ARG A 40 -10.430 -0.019 19.994 1.00 2.54 C ATOM 578 CD ARG A 40 -11.808 -0.064 20.676 1.00 3.29 C ATOM 579 NE ARG A 40 -11.690 -0.048 22.131 1.00 3.83 N ATOM 580 CZ ARG A 40 -12.732 -0.005 22.956 1.00 4.62 C ATOM 581 NH1 ARG A 40 -13.967 0.019 22.472 1.00 4.94 N ATOM 582 NH2 ARG A 40 -12.539 0.012 24.268 1.00 5.34 N ATOM 0 H ARG A 40 -9.126 2.117 17.113 1.00 1.49 H new ATOM 0 HA ARG A 40 -8.416 -0.535 18.186 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -11.183 0.767 18.131 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -10.998 -0.976 18.145 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -9.835 -0.869 20.329 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -9.903 0.882 20.307 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -12.404 0.788 20.350 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -12.340 -0.963 20.364 1.00 3.29 H new ATOM 0 HE ARG A 40 -10.755 -0.071 22.538 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -14.120 0.004 21.464 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -14.764 0.052 23.108 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -11.591 -0.008 24.644 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -13.338 0.045 24.901 1.00 5.34 H new ATOM 596 N ALA A 41 -9.909 -1.599 16.069 1.00 1.35 N ATOM 597 CA ALA A 41 -10.148 -2.226 14.740 1.00 1.29 C ATOM 598 C ALA A 41 -11.596 -1.974 14.229 1.00 1.31 C ATOM 599 O ALA A 41 -12.590 -2.152 14.958 1.00 1.64 O ATOM 600 CB ALA A 41 -9.849 -3.745 14.815 1.00 1.35 C ATOM 0 H ALA A 41 -10.234 -2.170 16.849 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.472 -1.761 14.022 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.025 -4.199 13.840 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -8.809 -3.897 15.103 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.502 -4.208 15.555 1.00 1.35 H new ATOM 606 N SER A 42 -11.689 -1.524 12.965 1.00 1.13 N ATOM 607 CA SER A 42 -12.974 -1.237 12.311 1.00 1.15 C ATOM 608 C SER A 42 -13.155 -2.077 11.038 1.00 1.10 C ATOM 609 O SER A 42 -12.271 -2.129 10.176 1.00 1.57 O ATOM 610 CB SER A 42 -13.076 0.253 11.967 1.00 1.23 C ATOM 611 OG SER A 42 -13.597 1.001 13.054 1.00 1.43 O ATOM 0 H SER A 42 -10.878 -1.350 12.372 1.00 1.13 H new ATOM 0 HA SER A 42 -13.767 -1.502 13.011 1.00 1.15 H new ATOM 0 HB2 SER A 42 -12.090 0.635 11.700 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.715 0.383 11.094 1.00 1.23 H new ATOM 0 HG SER A 42 -13.649 1.947 12.805 1.00 1.43 H new ATOM 617 N ASP A 43 -14.317 -2.733 10.931 1.00 0.99 N ATOM 618 CA ASP A 43 -14.628 -3.586 9.767 1.00 0.98 C ATOM 619 C ASP A 43 -16.011 -3.248 9.151 1.00 1.13 C ATOM 620 O ASP A 43 -17.062 -3.611 9.692 1.00 1.62 O ATOM 621 CB ASP A 43 -14.474 -5.130 10.091 1.00 1.01 C ATOM 622 CG ASP A 43 -15.160 -5.657 11.377 1.00 1.65 C ATOM 623 OD1 ASP A 43 -14.541 -5.566 12.459 1.00 1.80 O ATOM 624 OD2 ASP A 43 -16.302 -6.152 11.283 1.00 2.33 O ATOM 0 H ASP A 43 -15.058 -2.693 11.631 1.00 0.99 H new ATOM 0 HA ASP A 43 -13.882 -3.358 9.006 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.866 -5.693 9.244 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -13.410 -5.356 10.159 1.00 1.01 H new ATOM 629 N TYR A 44 -15.977 -2.531 8.010 1.00 1.26 N ATOM 630 CA TYR A 44 -17.198 -2.150 7.265 1.00 1.48 C ATOM 631 C TYR A 44 -17.233 -2.870 5.895 1.00 1.68 C ATOM 632 O TYR A 44 -17.151 -2.246 4.829 1.00 2.40 O ATOM 633 CB TYR A 44 -17.265 -0.620 7.075 1.00 1.58 C ATOM 634 CG TYR A 44 -17.532 0.168 8.366 1.00 1.67 C ATOM 635 CD1 TYR A 44 -18.833 0.359 8.852 1.00 1.93 C ATOM 636 CD2 TYR A 44 -16.479 0.720 9.102 1.00 2.02 C ATOM 637 CE1 TYR A 44 -19.064 1.069 10.020 1.00 2.32 C ATOM 638 CE2 TYR A 44 -16.714 1.431 10.269 1.00 2.50 C ATOM 639 CZ TYR A 44 -18.031 1.603 10.712 1.00 2.56 C ATOM 640 OH TYR A 44 -18.235 2.303 11.879 1.00 3.16 O ATOM 0 H TYR A 44 -15.112 -2.201 7.581 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.068 -2.458 7.844 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -16.325 -0.278 6.643 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -18.049 -0.390 6.354 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -19.669 -0.054 8.307 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -15.464 0.590 8.755 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -20.074 1.197 10.380 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -15.890 1.847 10.830 1.00 2.50 H new ATOM 0 HH TYR A 44 -17.373 2.609 12.232 1.00 3.16 H new ATOM 650 N GLY A 45 -17.352 -4.207 5.968 1.00 1.41 N ATOM 651 CA GLY A 45 -17.364 -5.067 4.789 1.00 1.52 C ATOM 652 C GLY A 45 -16.395 -6.238 4.942 1.00 1.29 C ATOM 653 O GLY A 45 -15.348 -6.269 4.292 1.00 1.22 O ATOM 0 H GLY A 45 -17.442 -4.714 6.848 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -18.372 -5.447 4.624 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -17.095 -4.483 3.909 1.00 1.52 H new ATOM 657 N MET A 46 -16.759 -7.201 5.818 1.00 1.26 N ATOM 658 CA MET A 46 -15.929 -8.401 6.113 1.00 1.14 C ATOM 659 C MET A 46 -16.268 -9.639 5.236 1.00 1.13 C ATOM 660 O MET A 46 -15.409 -10.500 5.025 1.00 1.13 O ATOM 661 CB MET A 46 -16.100 -8.782 7.592 1.00 1.28 C ATOM 662 CG MET A 46 -14.790 -9.020 8.364 1.00 1.04 C ATOM 663 SD MET A 46 -13.777 -10.333 7.648 1.00 1.58 S ATOM 664 CE MET A 46 -12.366 -10.330 8.754 1.00 1.67 C ATOM 0 H MET A 46 -17.634 -7.173 6.342 1.00 1.26 H new ATOM 0 HA MET A 46 -14.900 -8.125 5.881 1.00 1.14 H new ATOM 0 HB2 MET A 46 -16.659 -7.991 8.092 1.00 1.28 H new ATOM 0 HB3 MET A 46 -16.706 -9.686 7.650 1.00 1.28 H new ATOM 0 HG2 MET A 46 -14.214 -8.095 8.385 1.00 1.04 H new ATOM 0 HG3 MET A 46 -15.025 -9.273 9.398 1.00 1.04 H new ATOM 0 HE1 MET A 46 -11.653 -11.091 8.437 1.00 1.67 H new ATOM 0 HE2 MET A 46 -11.887 -9.351 8.729 1.00 1.67 H new ATOM 0 HE3 MET A 46 -12.699 -10.545 9.769 1.00 1.67 H new ATOM 674 N LYS A 47 -17.516 -9.712 4.722 1.00 1.20 N ATOM 675 CA LYS A 47 -17.966 -10.828 3.874 1.00 1.24 C ATOM 676 C LYS A 47 -18.009 -10.410 2.379 1.00 1.33 C ATOM 677 O LYS A 47 -19.070 -10.255 1.772 1.00 1.68 O ATOM 678 CB LYS A 47 -19.334 -11.318 4.403 1.00 1.34 C ATOM 679 CG LYS A 47 -19.937 -12.556 3.686 1.00 2.03 C ATOM 680 CD LYS A 47 -19.091 -13.855 3.849 1.00 2.90 C ATOM 681 CE LYS A 47 -18.276 -14.196 2.590 1.00 3.65 C ATOM 682 NZ LYS A 47 -17.293 -15.285 2.846 1.00 4.18 N ATOM 0 H LYS A 47 -18.231 -9.003 4.884 1.00 1.20 H new ATOM 0 HA LYS A 47 -17.259 -11.656 3.926 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -19.229 -11.552 5.462 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -20.046 -10.496 4.327 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -20.939 -12.736 4.074 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -20.042 -12.333 2.624 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -18.413 -13.738 4.695 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -19.754 -14.688 4.084 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -18.952 -14.497 1.790 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -17.750 -13.306 2.245 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -16.763 -15.486 1.974 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -16.632 -14.988 3.592 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -17.796 -16.142 3.151 1.00 4.18 H new ATOM 696 N LEU A 48 -16.789 -10.249 1.836 1.00 1.18 N ATOM 697 CA LEU A 48 -16.506 -9.841 0.451 1.00 1.29 C ATOM 698 C LEU A 48 -14.981 -10.015 0.218 1.00 1.00 C ATOM 699 O LEU A 48 -14.247 -9.021 0.157 1.00 1.21 O ATOM 700 CB LEU A 48 -16.898 -8.349 0.229 1.00 1.76 C ATOM 701 CG LEU A 48 -17.735 -7.945 -1.052 1.00 1.96 C ATOM 702 CD1 LEU A 48 -17.123 -8.446 -2.368 1.00 2.24 C ATOM 703 CD2 LEU A 48 -19.198 -8.390 -0.959 1.00 2.63 C ATOM 0 H LEU A 48 -15.938 -10.407 2.375 1.00 1.18 H new ATOM 0 HA LEU A 48 -17.083 -10.450 -0.245 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -17.463 -8.026 1.103 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -15.976 -7.768 0.213 1.00 1.76 H new ATOM 0 HG LEU A 48 -17.701 -6.856 -1.068 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -17.749 -8.132 -3.203 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -16.124 -8.028 -2.487 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -17.061 -9.534 -2.349 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -19.728 -8.089 -1.862 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -19.243 -9.474 -0.857 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -19.666 -7.924 -0.092 1.00 2.63 H new ATOM 715 N PRO A 49 -14.469 -11.294 0.100 1.00 0.82 N ATOM 716 CA PRO A 49 -13.003 -11.617 -0.087 1.00 0.89 C ATOM 717 C PRO A 49 -12.329 -11.148 -1.399 1.00 0.75 C ATOM 718 O PRO A 49 -12.996 -10.892 -2.405 1.00 0.78 O ATOM 719 CB PRO A 49 -12.983 -13.161 -0.076 1.00 1.31 C ATOM 720 CG PRO A 49 -14.232 -13.552 0.648 1.00 1.37 C ATOM 721 CD PRO A 49 -15.262 -12.545 0.196 1.00 1.05 C ATOM 0 HA PRO A 49 -12.441 -11.095 0.687 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.970 -13.564 -1.089 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -12.096 -13.542 0.430 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.534 -14.569 0.397 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.092 -13.518 1.728 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -15.704 -12.819 -0.762 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.080 -12.453 0.910 1.00 1.05 H new ATOM 729 N ILE A 50 -10.974 -11.056 -1.343 1.00 0.67 N ATOM 730 CA ILE A 50 -10.120 -10.679 -2.485 1.00 0.60 C ATOM 731 C ILE A 50 -9.704 -12.004 -3.248 1.00 0.64 C ATOM 732 O ILE A 50 -9.222 -12.968 -2.640 1.00 0.69 O ATOM 733 CB ILE A 50 -8.908 -9.706 -1.950 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.266 -8.190 -2.106 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.530 -9.867 -2.658 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.505 -7.675 -1.402 1.00 0.59 C ATOM 0 H ILE A 50 -10.445 -11.245 -0.492 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.630 -10.073 -3.234 1.00 0.60 H new ATOM 0 HB ILE A 50 -8.812 -10.028 -0.913 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.415 -7.608 -1.752 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.375 -7.981 -3.170 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -6.812 -9.174 -2.219 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.172 -10.889 -2.530 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.640 -9.652 -3.721 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.622 -6.610 -1.603 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.381 -8.211 -1.768 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.405 -7.833 -0.328 1.00 0.59 H new ATOM 748 N LEU A 51 -9.896 -11.994 -4.585 1.00 0.65 N ATOM 749 CA LEU A 51 -9.632 -13.169 -5.468 1.00 0.71 C ATOM 750 C LEU A 51 -8.162 -13.374 -5.940 1.00 0.78 C ATOM 751 O LEU A 51 -7.853 -14.423 -6.513 1.00 1.26 O ATOM 752 CB LEU A 51 -10.533 -13.063 -6.708 1.00 0.74 C ATOM 753 CG LEU A 51 -12.015 -13.509 -6.538 1.00 0.86 C ATOM 754 CD1 LEU A 51 -12.944 -12.716 -7.456 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.188 -15.007 -6.812 1.00 1.28 C ATOM 0 H LEU A 51 -10.238 -11.176 -5.089 1.00 0.65 H new ATOM 0 HA LEU A 51 -9.849 -14.037 -4.846 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -10.527 -12.026 -7.045 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.088 -13.660 -7.504 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.284 -13.308 -5.501 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -13.971 -13.052 -7.313 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -12.873 -11.655 -7.217 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -12.652 -12.875 -8.494 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.235 -15.282 -6.684 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -11.877 -15.228 -7.833 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -11.575 -15.578 -6.114 1.00 1.28 H new ATOM 767 N ARG A 52 -7.265 -12.395 -5.701 1.00 0.58 N ATOM 768 CA ARG A 52 -5.846 -12.527 -6.103 1.00 0.58 C ATOM 769 C ARG A 52 -4.861 -12.795 -4.915 1.00 0.57 C ATOM 770 O ARG A 52 -3.642 -12.783 -5.113 1.00 0.65 O ATOM 771 CB ARG A 52 -5.398 -11.273 -6.887 1.00 0.57 C ATOM 772 CG ARG A 52 -5.078 -11.496 -8.391 1.00 0.70 C ATOM 773 CD ARG A 52 -6.330 -11.778 -9.243 1.00 0.64 C ATOM 774 NE ARG A 52 -5.986 -12.057 -10.635 1.00 0.87 N ATOM 775 CZ ARG A 52 -6.883 -12.368 -11.567 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.173 -12.429 -11.260 1.00 1.34 N ATOM 777 NH2 ARG A 52 -6.491 -12.615 -12.809 1.00 1.51 N ATOM 0 H ARG A 52 -7.492 -11.515 -5.238 1.00 0.58 H new ATOM 0 HA ARG A 52 -5.798 -13.412 -6.737 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.182 -10.520 -6.809 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -4.512 -10.862 -6.403 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -4.571 -10.614 -8.783 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -4.385 -12.331 -8.488 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -6.871 -12.627 -8.825 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.001 -10.920 -9.199 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.004 -12.011 -10.907 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.480 -12.237 -10.306 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -8.857 -12.668 -11.978 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.501 -12.567 -13.051 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.179 -12.853 -13.523 1.00 1.51 H new ATOM 791 N SER A 53 -5.394 -13.044 -3.693 1.00 0.53 N ATOM 792 CA SER A 53 -4.566 -13.338 -2.504 1.00 0.54 C ATOM 793 C SER A 53 -5.073 -14.598 -1.723 1.00 0.57 C ATOM 794 O SER A 53 -6.035 -15.267 -2.122 1.00 0.67 O ATOM 795 CB SER A 53 -4.536 -12.102 -1.572 1.00 0.53 C ATOM 796 OG SER A 53 -3.260 -11.937 -0.967 1.00 1.09 O ATOM 0 H SER A 53 -6.397 -13.046 -3.508 1.00 0.53 H new ATOM 0 HA SER A 53 -3.557 -13.563 -2.850 1.00 0.54 H new ATOM 0 HB2 SER A 53 -4.788 -11.208 -2.143 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.296 -12.210 -0.798 1.00 0.53 H new ATOM 0 HG SER A 53 -3.015 -10.988 -0.974 1.00 1.09 H new ATOM 802 N ASN A 54 -4.388 -14.902 -0.592 1.00 0.59 N ATOM 803 CA ASN A 54 -4.717 -16.059 0.328 1.00 0.64 C ATOM 804 C ASN A 54 -5.655 -15.572 1.492 1.00 0.63 C ATOM 805 O ASN A 54 -5.839 -14.372 1.613 1.00 0.66 O ATOM 806 CB ASN A 54 -3.422 -16.748 0.946 1.00 0.80 C ATOM 807 CG ASN A 54 -2.048 -16.182 0.539 1.00 0.85 C ATOM 808 OD1 ASN A 54 -1.518 -16.510 -0.523 1.00 1.27 O ATOM 809 ND2 ASN A 54 -1.475 -15.347 1.397 1.00 1.12 N ATOM 0 H ASN A 54 -3.585 -14.358 -0.277 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.224 -16.808 -0.281 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.499 -16.694 2.032 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -3.443 -17.804 0.677 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -0.559 -14.950 1.188 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -1.951 -15.103 2.266 1.00 1.12 H new ATOM 816 N PRO A 55 -6.294 -16.460 2.368 1.00 0.71 N ATOM 817 CA PRO A 55 -7.208 -16.004 3.507 1.00 0.75 C ATOM 818 C PRO A 55 -6.560 -15.075 4.586 1.00 0.74 C ATOM 819 O PRO A 55 -7.149 -14.044 4.979 1.00 0.80 O ATOM 820 CB PRO A 55 -7.666 -17.331 4.160 1.00 0.89 C ATOM 821 CG PRO A 55 -6.650 -18.346 3.708 1.00 0.95 C ATOM 822 CD PRO A 55 -6.289 -17.945 2.292 1.00 0.83 C ATOM 0 HA PRO A 55 -8.003 -15.380 3.099 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -7.690 -17.251 5.247 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -8.671 -17.605 3.838 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -5.773 -18.340 4.355 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -7.061 -19.355 3.739 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.314 -18.333 1.996 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -7.013 -18.317 1.567 1.00 0.83 H new ATOM 830 N GLU A 56 -5.302 -15.412 4.988 1.00 0.71 N ATOM 831 CA GLU A 56 -4.492 -14.634 5.985 1.00 0.73 C ATOM 832 C GLU A 56 -4.066 -13.241 5.435 1.00 0.65 C ATOM 833 O GLU A 56 -4.377 -12.176 6.016 1.00 0.67 O ATOM 834 CB GLU A 56 -3.228 -15.446 6.355 1.00 0.80 C ATOM 835 CG GLU A 56 -3.480 -16.676 7.250 1.00 0.97 C ATOM 836 CD GLU A 56 -3.868 -16.307 8.676 1.00 1.48 C ATOM 837 OE1 GLU A 56 -2.957 -16.074 9.499 1.00 1.63 O ATOM 838 OE2 GLU A 56 -5.081 -16.252 8.965 1.00 2.04 O ATOM 0 H GLU A 56 -4.814 -16.234 4.631 1.00 0.71 H new ATOM 0 HA GLU A 56 -5.115 -14.467 6.864 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -2.746 -15.778 5.435 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.526 -14.785 6.862 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.272 -17.282 6.810 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -2.581 -17.292 7.272 1.00 0.97 H new ATOM 845 N ASP A 57 -3.444 -13.261 4.232 1.00 0.62 N ATOM 846 CA ASP A 57 -3.016 -12.036 3.530 1.00 0.58 C ATOM 847 C ASP A 57 -4.229 -11.302 2.810 1.00 0.52 C ATOM 848 O ASP A 57 -4.057 -10.233 2.244 1.00 0.53 O ATOM 849 CB ASP A 57 -1.880 -12.398 2.559 1.00 0.60 C ATOM 850 CG ASP A 57 -0.867 -11.279 2.290 1.00 1.08 C ATOM 851 OD1 ASP A 57 -0.457 -10.607 3.252 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.497 -11.083 1.113 1.00 1.62 O ATOM 0 H ASP A 57 -3.228 -14.121 3.728 1.00 0.62 H new ATOM 0 HA ASP A 57 -2.641 -11.315 4.256 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -1.346 -13.261 2.956 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.319 -12.704 1.610 1.00 0.60 H new ATOM 857 N GLN A 58 -5.463 -11.913 2.901 1.00 0.52 N ATOM 858 CA GLN A 58 -6.764 -11.352 2.416 1.00 0.51 C ATOM 859 C GLN A 58 -7.220 -10.260 3.415 1.00 0.50 C ATOM 860 O GLN A 58 -7.675 -9.193 3.030 1.00 0.49 O ATOM 861 CB GLN A 58 -7.818 -12.471 2.359 1.00 0.60 C ATOM 862 CG GLN A 58 -9.106 -12.141 1.603 1.00 0.84 C ATOM 863 CD GLN A 58 -10.169 -13.188 1.852 1.00 0.91 C ATOM 864 OE1 GLN A 58 -10.247 -14.191 1.140 1.00 1.16 O ATOM 865 NE2 GLN A 58 -10.995 -12.966 2.869 1.00 1.77 N ATOM 0 H GLN A 58 -5.574 -12.833 3.326 1.00 0.52 H new ATOM 0 HA GLN A 58 -6.645 -10.927 1.419 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -7.364 -13.348 1.897 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.080 -12.748 3.380 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.474 -11.164 1.915 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -8.898 -12.077 0.535 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -10.895 -12.122 3.433 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -11.729 -13.640 3.086 1.00 1.77 H new ATOM 874 N VAL A 59 -7.018 -10.569 4.737 1.00 0.52 N ATOM 875 CA VAL A 59 -7.233 -9.604 5.893 1.00 0.54 C ATOM 876 C VAL A 59 -6.213 -8.410 5.747 1.00 0.52 C ATOM 877 O VAL A 59 -6.597 -7.257 5.908 1.00 0.55 O ATOM 878 CB VAL A 59 -7.073 -10.292 7.347 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.375 -9.348 8.545 1.00 0.80 C ATOM 880 CG2 VAL A 59 -7.989 -11.499 7.526 1.00 0.81 C ATOM 0 H VAL A 59 -6.702 -11.490 5.041 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.263 -9.252 5.838 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.021 -10.577 7.361 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.243 -9.893 9.480 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.692 -8.499 8.520 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.402 -8.990 8.476 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -7.842 -11.923 8.519 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.028 -11.187 7.415 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -7.753 -12.250 6.772 1.00 0.81 H new ATOM 890 N LEU A 60 -4.925 -8.719 5.403 1.00 0.49 N ATOM 891 CA LEU A 60 -3.903 -7.657 5.153 1.00 0.48 C ATOM 892 C LEU A 60 -4.007 -7.007 3.724 1.00 0.49 C ATOM 893 O LEU A 60 -3.274 -6.090 3.415 1.00 0.65 O ATOM 894 CB LEU A 60 -2.496 -8.232 5.356 1.00 0.52 C ATOM 895 CG LEU A 60 -1.320 -7.220 5.322 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.951 -6.732 6.705 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.082 -7.802 4.658 1.00 0.90 C ATOM 0 H LEU A 60 -4.578 -9.672 5.295 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.101 -6.862 5.872 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.474 -8.748 6.316 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.321 -8.984 4.586 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.676 -6.377 4.730 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.124 -6.026 6.633 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.811 -6.239 7.158 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.652 -7.579 7.322 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.714 -7.058 4.657 1.00 0.90 H new ATOM 0 HD22 LEU A 60 0.246 -8.684 5.209 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.317 -8.082 3.631 1.00 0.90 H new ATOM 909 N TYR A 61 -4.895 -7.538 2.886 1.00 0.44 N ATOM 910 CA TYR A 61 -5.182 -7.029 1.525 1.00 0.45 C ATOM 911 C TYR A 61 -6.704 -6.658 1.345 1.00 0.47 C ATOM 912 O TYR A 61 -7.198 -6.595 0.219 1.00 0.52 O ATOM 913 CB TYR A 61 -4.784 -8.093 0.471 1.00 0.44 C ATOM 914 CG TYR A 61 -3.295 -8.158 0.039 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.285 -7.730 0.913 1.00 0.70 C ATOM 916 CD2 TYR A 61 -2.891 -8.620 -1.224 1.00 0.76 C ATOM 917 CE1 TYR A 61 -0.949 -7.766 0.549 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.549 -8.653 -1.583 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.622 -8.325 -0.788 1.00 0.72 C ATOM 920 OH TYR A 61 0.737 -8.259 -1.055 1.00 0.88 O ATOM 0 H TYR A 61 -5.455 -8.355 3.130 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.595 -6.122 1.383 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.063 -9.072 0.861 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.385 -7.922 -0.422 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.555 -7.364 1.892 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.637 -8.956 -1.929 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.176 -7.402 1.210 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.287 -8.972 -2.581 1.00 0.92 H new ATOM 0 HH TYR A 61 0.915 -8.636 -1.942 1.00 0.88 H new ATOM 930 N GLN A 62 -7.442 -6.435 2.467 1.00 0.50 N ATOM 931 CA GLN A 62 -8.915 -6.109 2.420 1.00 0.57 C ATOM 932 C GLN A 62 -9.455 -5.169 3.546 1.00 0.70 C ATOM 933 O GLN A 62 -10.428 -4.449 3.301 1.00 1.33 O ATOM 934 CB GLN A 62 -9.769 -7.412 2.468 1.00 0.57 C ATOM 935 CG GLN A 62 -11.297 -7.200 2.318 1.00 0.75 C ATOM 936 CD GLN A 62 -12.127 -8.357 2.840 1.00 0.77 C ATOM 937 OE1 GLN A 62 -11.593 -9.565 2.767 1.00 1.26 O flip ATOM 938 NE2 GLN A 62 -13.248 -8.163 3.307 1.00 1.02 N flip ATOM 0 H GLN A 62 -7.056 -6.472 3.410 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.014 -5.567 1.479 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.431 -8.080 1.676 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.579 -7.918 3.414 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.583 -6.291 2.848 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.531 -7.042 1.265 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -13.627 -7.217 3.347 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.799 -8.948 3.654 1.00 1.02 H new ATOM 947 N THR A 63 -8.852 -5.162 4.760 1.00 0.58 N ATOM 948 CA THR A 63 -9.370 -4.338 5.929 1.00 0.62 C ATOM 949 C THR A 63 -9.086 -2.793 5.834 1.00 0.76 C ATOM 950 O THR A 63 -7.963 -2.371 5.551 1.00 1.28 O ATOM 951 CB THR A 63 -8.888 -4.897 7.331 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.465 -5.088 7.375 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.594 -6.218 7.717 1.00 0.60 C ATOM 0 H THR A 63 -8.015 -5.704 4.975 1.00 0.58 H new ATOM 0 HA THR A 63 -10.452 -4.452 5.856 1.00 0.62 H new ATOM 0 HB THR A 63 -9.165 -4.134 8.059 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.236 -5.939 6.947 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.227 -6.557 8.686 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.670 -6.052 7.774 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.383 -6.977 6.963 1.00 0.60 H new ATOM 961 N GLU A 64 -10.153 -1.988 6.084 1.00 0.57 N ATOM 962 CA GLU A 64 -10.112 -0.489 6.023 1.00 0.60 C ATOM 963 C GLU A 64 -10.550 0.177 7.356 1.00 0.64 C ATOM 964 O GLU A 64 -11.400 -0.347 8.082 1.00 0.69 O ATOM 965 CB GLU A 64 -11.039 0.048 4.892 1.00 0.67 C ATOM 966 CG GLU A 64 -12.334 -0.767 4.629 1.00 0.84 C ATOM 967 CD GLU A 64 -13.538 -0.254 5.402 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.217 0.666 4.898 1.00 1.53 O ATOM 969 OE2 GLU A 64 -13.803 -0.773 6.507 1.00 1.50 O ATOM 0 H GLU A 64 -11.071 -2.355 6.335 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.072 -0.230 5.824 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.321 1.072 5.136 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.464 0.088 3.967 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.559 -0.743 3.563 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.158 -1.810 4.894 1.00 0.84 H new ATOM 976 N ARG A 65 -9.962 1.359 7.654 1.00 0.74 N ATOM 977 CA ARG A 65 -10.274 2.126 8.888 1.00 0.91 C ATOM 978 C ARG A 65 -11.291 3.278 8.640 1.00 1.19 C ATOM 979 O ARG A 65 -12.492 3.083 8.849 1.00 2.12 O ATOM 980 CB ARG A 65 -8.960 2.668 9.508 1.00 0.98 C ATOM 981 CG ARG A 65 -8.480 1.928 10.786 1.00 0.90 C ATOM 982 CD ARG A 65 -7.030 2.282 11.178 1.00 0.96 C ATOM 983 NE ARG A 65 -6.940 3.630 11.741 1.00 1.63 N ATOM 984 CZ ARG A 65 -5.811 4.329 11.830 1.00 2.39 C ATOM 985 NH1 ARG A 65 -4.671 3.832 11.371 1.00 2.86 N ATOM 986 NH2 ARG A 65 -5.826 5.535 12.379 1.00 3.22 N ATOM 0 H ARG A 65 -9.266 1.805 7.056 1.00 0.74 H new ATOM 0 HA ARG A 65 -10.754 1.444 9.590 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -8.172 2.612 8.757 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -9.097 3.722 9.748 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -9.145 2.175 11.614 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -8.555 0.852 10.626 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -6.661 1.558 11.905 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -6.387 2.209 10.301 1.00 0.96 H new ATOM 0 HE ARG A 65 -7.797 4.061 12.087 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -4.654 2.906 10.945 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -3.811 4.376 11.444 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -6.701 5.924 12.731 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -4.963 6.074 12.449 1.00 3.22 H new ATOM 1000 N TYR A 66 -10.815 4.466 8.200 1.00 0.77 N ATOM 1001 CA TYR A 66 -11.704 5.623 7.931 1.00 0.92 C ATOM 1002 C TYR A 66 -11.117 6.597 6.883 1.00 1.10 C ATOM 1003 O TYR A 66 -9.933 6.526 6.524 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.020 6.390 9.236 1.00 1.58 C ATOM 1005 CG TYR A 66 -13.478 6.256 9.709 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -14.527 6.935 9.074 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -13.801 5.449 10.806 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -15.835 6.809 9.517 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -15.109 5.326 11.248 1.00 2.90 C ATOM 1010 CZ TYR A 66 -16.140 6.017 10.534 1.00 2.96 C ATOM 1011 OH TYR A 66 -17.414 5.885 11.043 1.00 3.66 O ATOM 0 H TYR A 66 -9.827 4.649 8.024 1.00 0.77 H new ATOM 0 HA TYR A 66 -12.625 5.212 7.518 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -11.359 6.030 10.025 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -11.794 7.446 9.088 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -14.313 7.567 8.225 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -13.016 4.912 11.318 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -16.618 7.366 9.024 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -15.345 4.722 12.112 1.00 2.90 H new ATOM 0 HH TYR A 66 -17.404 5.248 11.788 1.00 3.66 H new ATOM 1021 N ASN A 67 -11.974 7.524 6.403 1.00 1.30 N ATOM 1022 CA ASN A 67 -11.580 8.523 5.380 1.00 1.97 C ATOM 1023 C ASN A 67 -11.889 9.976 5.813 1.00 1.59 C ATOM 1024 O ASN A 67 -12.945 10.259 6.395 1.00 1.69 O ATOM 1025 CB ASN A 67 -12.291 8.236 4.040 1.00 3.06 C ATOM 1026 CG ASN A 67 -11.551 7.238 3.154 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -11.802 6.035 3.213 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -10.634 7.739 2.337 1.00 4.70 N ATOM 0 H ASN A 67 -12.945 7.603 6.707 1.00 1.30 H new ATOM 0 HA ASN A 67 -10.500 8.430 5.262 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -13.292 7.855 4.244 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -12.412 9.172 3.495 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -10.104 7.119 1.724 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -10.459 8.744 2.322 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.952 10.895 5.499 1.00 1.31 N ATOM 1036 CA GLU A 68 -11.095 12.325 5.832 1.00 1.11 C ATOM 1037 C GLU A 68 -10.612 13.225 4.649 1.00 0.91 C ATOM 1038 O GLU A 68 -11.288 13.284 3.616 1.00 1.18 O ATOM 1039 CB GLU A 68 -10.345 12.629 7.160 1.00 1.42 C ATOM 1040 CG GLU A 68 -10.728 13.955 7.835 1.00 1.26 C ATOM 1041 CD GLU A 68 -9.908 14.224 9.084 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -10.299 13.739 10.167 1.00 2.25 O ATOM 1043 OE2 GLU A 68 -8.877 14.922 8.979 1.00 2.55 O ATOM 0 H GLU A 68 -10.084 10.669 5.013 1.00 1.31 H new ATOM 0 HA GLU A 68 -12.148 12.560 5.985 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -10.533 11.815 7.860 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -9.273 12.637 6.961 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -10.589 14.773 7.128 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -11.786 13.935 8.095 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.458 13.926 4.801 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.903 14.801 3.737 1.00 0.75 C ATOM 1052 C ASP A 69 -7.389 15.032 3.932 1.00 0.69 C ATOM 1053 O ASP A 69 -6.971 15.577 4.962 1.00 1.33 O ATOM 1054 CB ASP A 69 -9.621 16.166 3.751 1.00 1.17 C ATOM 1055 CG ASP A 69 -10.387 16.460 2.472 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -11.564 16.051 2.380 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -9.808 17.097 1.566 1.00 2.15 O ATOM 0 H ASP A 69 -8.895 13.901 5.651 1.00 0.76 H new ATOM 0 HA ASP A 69 -9.062 14.301 2.781 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -10.311 16.196 4.594 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -8.885 16.953 3.914 1.00 1.17 H new ATOM 1062 N SER A 70 -6.566 14.641 2.897 1.00 0.72 N ATOM 1063 CA SER A 70 -5.053 14.781 2.865 1.00 0.57 C ATOM 1064 C SER A 70 -4.329 14.120 4.073 1.00 0.53 C ATOM 1065 O SER A 70 -4.081 14.776 5.093 1.00 0.57 O ATOM 1066 CB SER A 70 -4.665 16.269 2.737 1.00 0.70 C ATOM 1067 OG SER A 70 -3.513 16.442 1.923 1.00 0.77 O ATOM 0 H SER A 70 -6.936 14.213 2.048 1.00 0.72 H new ATOM 0 HA SER A 70 -4.711 14.232 1.988 1.00 0.57 H new ATOM 0 HB2 SER A 70 -5.499 16.828 2.312 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.477 16.683 3.728 1.00 0.70 H new ATOM 0 HG SER A 70 -3.296 17.396 1.862 1.00 0.77 H new ATOM 1073 N PHE A 71 -3.998 12.826 3.942 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.362 12.086 5.051 1.00 0.47 C ATOM 1075 C PHE A 71 -2.401 10.983 4.574 1.00 0.33 C ATOM 1076 O PHE A 71 -2.504 10.476 3.444 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.442 11.494 6.016 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.661 10.843 5.339 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.744 11.622 4.927 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.732 9.466 5.130 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.850 11.046 4.326 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.844 8.891 4.530 1.00 0.78 C ATOM 1083 CZ PHE A 71 -7.899 9.682 4.128 1.00 0.67 C ATOM 0 H PHE A 71 -4.155 12.276 3.097 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.756 12.812 5.593 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.964 10.750 6.653 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.796 12.292 6.668 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.718 12.691 5.080 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -4.910 8.838 5.439 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.676 11.666 4.011 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -6.883 7.822 4.378 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.763 9.234 3.659 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.449 10.629 5.457 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.480 9.593 5.132 1.00 0.41 C ATOM 1095 C GLY A 72 0.447 9.163 6.266 1.00 0.33 C ATOM 1096 O GLY A 72 0.297 9.567 7.427 1.00 0.47 O ATOM 0 H GLY A 72 -1.339 11.043 6.383 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -1.021 8.715 4.779 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.133 9.944 4.302 1.00 0.41 H new ATOM 1100 N TYR A 73 1.431 8.335 5.887 1.00 0.28 N ATOM 1101 CA TYR A 73 2.403 7.748 6.840 1.00 0.24 C ATOM 1102 C TYR A 73 3.855 8.286 6.707 1.00 0.21 C ATOM 1103 O TYR A 73 4.200 9.019 5.766 1.00 0.27 O ATOM 1104 CB TYR A 73 2.460 6.216 6.668 1.00 0.36 C ATOM 1105 CG TYR A 73 1.143 5.521 6.280 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.716 5.448 4.952 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.317 4.959 7.256 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.482 4.833 4.621 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.875 4.350 6.921 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.219 4.234 5.545 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.456 3.683 5.285 1.00 0.89 O ATOM 0 H TYR A 73 1.581 8.050 4.919 1.00 0.28 H new ATOM 0 HA TYR A 73 2.034 8.042 7.823 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.205 5.985 5.907 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.814 5.780 7.602 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.328 5.877 4.172 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.617 5.002 8.293 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.819 4.842 3.595 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.534 3.969 7.688 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.487 2.769 5.636 1.00 0.89 H new ATOM 1121 N ASP A 74 4.700 7.852 7.675 1.00 0.17 N ATOM 1122 CA ASP A 74 6.130 8.235 7.759 1.00 0.16 C ATOM 1123 C ASP A 74 7.055 6.998 7.913 1.00 0.15 C ATOM 1124 O ASP A 74 6.803 6.112 8.739 1.00 0.24 O ATOM 1125 CB ASP A 74 6.361 9.175 8.964 1.00 0.21 C ATOM 1126 CG ASP A 74 6.142 10.657 8.662 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.582 10.963 7.588 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.536 11.505 9.491 1.00 0.40 O ATOM 0 H ASP A 74 4.406 7.223 8.423 1.00 0.17 H new ATOM 0 HA ASP A 74 6.378 8.742 6.827 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.693 8.879 9.773 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.380 9.038 9.326 1.00 0.21 H new ATOM 1133 N ILE A 75 8.142 6.971 7.112 1.00 0.10 N ATOM 1134 CA ILE A 75 9.146 5.879 7.135 1.00 0.09 C ATOM 1135 C ILE A 75 10.566 6.494 7.383 1.00 0.08 C ATOM 1136 O ILE A 75 11.167 7.018 6.444 1.00 0.12 O ATOM 1137 CB ILE A 75 9.150 5.024 5.778 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.729 4.592 5.353 1.00 0.13 C ATOM 1139 CG2 ILE A 75 10.005 3.727 5.863 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.112 5.411 4.243 1.00 0.15 C ATOM 0 H ILE A 75 8.350 7.702 6.432 1.00 0.10 H new ATOM 0 HA ILE A 75 8.880 5.196 7.942 1.00 0.09 H new ATOM 0 HB ILE A 75 9.586 5.703 5.046 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.763 3.549 5.038 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.076 4.640 6.224 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.962 3.200 4.910 1.00 0.14 H new ATOM 0 HG22 ILE A 75 11.040 3.987 6.087 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.614 3.084 6.652 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.116 5.028 4.019 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.038 6.452 4.557 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.736 5.344 3.352 1.00 0.15 H new ATOM 1152 N PRO A 76 11.123 6.450 8.639 1.00 0.09 N ATOM 1153 CA PRO A 76 12.470 6.994 8.921 1.00 0.10 C ATOM 1154 C PRO A 76 13.653 6.020 8.618 1.00 0.09 C ATOM 1155 O PRO A 76 13.754 4.943 9.215 1.00 0.11 O ATOM 1156 CB PRO A 76 12.376 7.336 10.408 1.00 0.14 C ATOM 1157 CG PRO A 76 11.487 6.258 10.983 1.00 0.15 C ATOM 1158 CD PRO A 76 10.493 5.906 9.877 1.00 0.12 C ATOM 0 HA PRO A 76 12.706 7.839 8.274 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.359 7.335 10.879 1.00 0.14 H new ATOM 0 HB3 PRO A 76 11.950 8.327 10.562 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.070 5.385 11.277 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.970 6.612 11.875 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.339 4.829 9.807 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.517 6.356 10.059 1.00 0.12 H new ATOM 1166 N ILE A 77 14.528 6.428 7.676 1.00 0.09 N ATOM 1167 CA ILE A 77 15.710 5.624 7.262 1.00 0.10 C ATOM 1168 C ILE A 77 17.027 6.464 7.362 1.00 0.13 C ATOM 1169 O ILE A 77 17.018 7.701 7.363 1.00 0.19 O ATOM 1170 CB ILE A 77 15.563 5.045 5.784 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.081 4.825 5.392 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.313 3.678 5.585 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.546 5.711 4.278 1.00 0.19 C ATOM 0 H ILE A 77 14.442 7.316 7.181 1.00 0.09 H new ATOM 0 HA ILE A 77 15.763 4.782 7.952 1.00 0.10 H new ATOM 0 HB ILE A 77 16.016 5.803 5.144 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.956 3.784 5.093 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.465 4.978 6.278 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.177 3.334 4.560 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.376 3.814 5.784 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.907 2.937 6.273 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.500 5.468 4.090 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.628 6.757 4.574 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.126 5.544 3.370 1.00 0.19 H new ATOM 1185 N LYS A 78 18.155 5.740 7.428 1.00 0.15 N ATOM 1186 CA LYS A 78 19.500 6.336 7.507 1.00 0.20 C ATOM 1187 C LYS A 78 20.560 5.511 6.719 1.00 0.21 C ATOM 1188 O LYS A 78 21.762 5.661 6.972 1.00 0.25 O ATOM 1189 CB LYS A 78 19.947 6.463 8.987 1.00 0.27 C ATOM 1190 CG LYS A 78 19.299 7.637 9.766 1.00 0.87 C ATOM 1191 CD LYS A 78 19.861 7.813 11.204 1.00 1.32 C ATOM 1192 CE LYS A 78 19.429 6.692 12.172 1.00 1.91 C ATOM 1193 NZ LYS A 78 17.949 6.525 12.209 1.00 2.53 N ATOM 0 H LYS A 78 18.161 4.720 7.428 1.00 0.15 H new ATOM 0 HA LYS A 78 19.435 7.323 7.050 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.714 5.531 9.503 1.00 0.27 H new ATOM 0 HB3 LYS A 78 21.030 6.581 9.015 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.453 8.561 9.209 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.223 7.475 9.823 1.00 0.87 H new ATOM 0 HD2 LYS A 78 20.950 7.845 11.159 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.530 8.773 11.601 1.00 1.32 H new ATOM 0 HE2 LYS A 78 19.892 5.753 11.869 1.00 1.91 H new ATOM 0 HE3 LYS A 78 19.793 6.918 13.174 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 17.685 5.956 13.038 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 17.496 7.459 12.272 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 17.632 6.044 11.343 1.00 2.53 H new ATOM 1207 N GLU A 79 20.128 4.652 5.751 1.00 0.19 N ATOM 1208 CA GLU A 79 21.044 3.837 4.967 1.00 0.22 C ATOM 1209 C GLU A 79 20.776 3.998 3.452 1.00 0.20 C ATOM 1210 O GLU A 79 19.679 4.380 3.016 1.00 0.18 O ATOM 1211 CB GLU A 79 20.916 2.370 5.464 1.00 0.24 C ATOM 1212 CG GLU A 79 21.353 1.276 4.490 1.00 0.55 C ATOM 1213 CD GLU A 79 21.486 -0.079 5.155 1.00 1.17 C ATOM 1214 OE1 GLU A 79 20.814 -0.304 6.184 1.00 2.12 O ATOM 1215 OE2 GLU A 79 22.258 -0.919 4.646 1.00 1.03 O ATOM 0 H GLU A 79 19.145 4.521 5.511 1.00 0.19 H new ATOM 0 HA GLU A 79 22.075 4.163 5.108 1.00 0.22 H new ATOM 0 HB2 GLU A 79 21.503 2.267 6.377 1.00 0.24 H new ATOM 0 HB3 GLU A 79 19.875 2.191 5.732 1.00 0.24 H new ATOM 0 HG2 GLU A 79 20.629 1.208 3.678 1.00 0.55 H new ATOM 0 HG3 GLU A 79 22.308 1.553 4.044 1.00 0.55 H new ATOM 1222 N GLU A 80 21.804 3.673 2.661 1.00 0.26 N ATOM 1223 CA GLU A 80 21.737 3.796 1.198 1.00 0.25 C ATOM 1224 C GLU A 80 21.873 2.456 0.453 1.00 0.27 C ATOM 1225 O GLU A 80 22.685 1.590 0.805 1.00 0.32 O ATOM 1226 CB GLU A 80 22.826 4.765 0.701 1.00 0.27 C ATOM 1227 CG GLU A 80 22.565 6.261 0.987 1.00 0.28 C ATOM 1228 CD GLU A 80 23.551 6.830 1.992 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.691 7.147 1.592 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.184 6.956 3.180 1.00 0.42 O ATOM 0 H GLU A 80 22.696 3.321 3.009 1.00 0.26 H new ATOM 0 HA GLU A 80 20.742 4.181 0.975 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.774 4.485 1.160 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.942 4.633 -0.375 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.631 6.825 0.056 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.550 6.386 1.365 1.00 0.28 H new ATOM 1237 N GLY A 81 21.056 2.334 -0.599 1.00 0.22 N ATOM 1238 CA GLY A 81 21.039 1.147 -1.447 1.00 0.23 C ATOM 1239 C GLY A 81 19.799 1.084 -2.334 1.00 0.19 C ATOM 1240 O GLY A 81 19.530 2.023 -3.094 1.00 0.18 O ATOM 0 H GLY A 81 20.392 3.055 -0.882 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.931 1.138 -2.073 1.00 0.23 H new ATOM 0 HA3 GLY A 81 21.080 0.256 -0.821 1.00 0.23 H new ATOM 1244 N GLU A 82 19.047 -0.035 -2.262 1.00 0.20 N ATOM 1245 CA GLU A 82 17.810 -0.180 -3.051 1.00 0.17 C ATOM 1246 C GLU A 82 16.620 -0.543 -2.154 1.00 0.18 C ATOM 1247 O GLU A 82 16.612 -1.584 -1.501 1.00 0.30 O ATOM 1248 CB GLU A 82 17.951 -1.244 -4.165 1.00 0.19 C ATOM 1249 CG GLU A 82 19.090 -1.002 -5.170 1.00 0.26 C ATOM 1250 CD GLU A 82 18.762 -1.520 -6.559 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.898 -0.919 -7.230 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.367 -2.532 -6.972 1.00 1.75 O ATOM 0 H GLU A 82 19.272 -0.838 -1.675 1.00 0.20 H new ATOM 0 HA GLU A 82 17.629 0.788 -3.519 1.00 0.17 H new ATOM 0 HB2 GLU A 82 18.103 -2.217 -3.697 1.00 0.19 H new ATOM 0 HB3 GLU A 82 17.011 -1.297 -4.714 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.301 0.066 -5.225 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.997 -1.488 -4.810 1.00 0.26 H new ATOM 1259 N TYR A 83 15.612 0.340 -2.137 1.00 0.08 N ATOM 1260 CA TYR A 83 14.385 0.130 -1.343 1.00 0.08 C ATOM 1261 C TYR A 83 13.165 0.072 -2.272 1.00 0.08 C ATOM 1262 O TYR A 83 13.069 0.837 -3.228 1.00 0.12 O ATOM 1263 CB TYR A 83 14.195 1.240 -0.295 1.00 0.10 C ATOM 1264 CG TYR A 83 15.294 1.292 0.774 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.477 2.001 0.560 1.00 0.16 C ATOM 1266 CD2 TYR A 83 15.152 0.625 1.992 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.469 2.046 1.516 1.00 0.18 C ATOM 1268 CE2 TYR A 83 16.146 0.669 2.949 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.299 1.379 2.705 1.00 0.16 C ATOM 1270 OH TYR A 83 18.287 1.422 3.658 1.00 0.21 O ATOM 0 H TYR A 83 15.619 1.212 -2.666 1.00 0.08 H new ATOM 0 HA TYR A 83 14.485 -0.817 -0.813 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.154 2.202 -0.805 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.232 1.099 0.196 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.618 2.525 -0.374 1.00 0.16 H new ATOM 0 HD2 TYR A 83 14.250 0.065 2.189 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.376 2.603 1.331 1.00 0.18 H new ATOM 0 HE2 TYR A 83 16.019 0.148 3.886 1.00 0.19 H new ATOM 0 HH TYR A 83 18.010 0.900 4.440 1.00 0.21 H new ATOM 1280 N VAL A 84 12.225 -0.837 -1.984 1.00 0.08 N ATOM 1281 CA VAL A 84 11.027 -1.020 -2.862 1.00 0.10 C ATOM 1282 C VAL A 84 9.716 -0.766 -2.070 1.00 0.10 C ATOM 1283 O VAL A 84 9.471 -1.371 -1.020 1.00 0.10 O ATOM 1284 CB VAL A 84 10.972 -2.465 -3.602 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.062 -2.476 -4.863 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.348 -2.992 -4.058 1.00 0.20 C ATOM 0 H VAL A 84 12.254 -1.453 -1.171 1.00 0.08 H new ATOM 0 HA VAL A 84 11.123 -0.276 -3.653 1.00 0.10 H new ATOM 0 HB VAL A 84 10.565 -3.111 -2.824 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.070 -3.471 -5.309 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.043 -2.214 -4.579 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.434 -1.751 -5.587 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.224 -3.961 -4.542 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.792 -2.288 -4.762 1.00 0.20 H new ATOM 0 HG23 VAL A 84 13.001 -3.100 -3.192 1.00 0.20 H new ATOM 1296 N LEU A 85 8.866 0.124 -2.637 1.00 0.12 N ATOM 1297 CA LEU A 85 7.564 0.469 -2.044 1.00 0.15 C ATOM 1298 C LEU A 85 6.424 -0.240 -2.825 1.00 0.16 C ATOM 1299 O LEU A 85 6.124 0.116 -3.972 1.00 0.21 O ATOM 1300 CB LEU A 85 7.352 2.006 -2.085 1.00 0.25 C ATOM 1301 CG LEU A 85 6.426 2.642 -0.992 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.064 3.868 -0.348 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.072 3.044 -1.567 1.00 0.61 C ATOM 0 H LEU A 85 9.066 0.615 -3.509 1.00 0.12 H new ATOM 0 HA LEU A 85 7.548 0.136 -1.006 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.330 2.482 -2.014 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.943 2.262 -3.062 1.00 0.25 H new ATOM 0 HG LEU A 85 6.285 1.872 -0.234 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.389 4.277 0.403 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.004 3.583 0.125 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.257 4.621 -1.112 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.458 3.481 -0.780 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.217 3.775 -2.362 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.572 2.163 -1.971 1.00 0.61 H new ATOM 1315 N VAL A 86 5.819 -1.261 -2.194 1.00 0.17 N ATOM 1316 CA VAL A 86 4.708 -2.053 -2.813 1.00 0.21 C ATOM 1317 C VAL A 86 3.421 -1.878 -1.956 1.00 0.21 C ATOM 1318 O VAL A 86 3.440 -2.089 -0.740 1.00 0.27 O ATOM 1319 CB VAL A 86 5.003 -3.635 -3.000 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.227 -4.246 -4.199 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.498 -4.011 -3.180 1.00 0.32 C ATOM 0 H VAL A 86 6.071 -1.568 -1.255 1.00 0.17 H new ATOM 0 HA VAL A 86 4.593 -1.655 -3.821 1.00 0.21 H new ATOM 0 HB VAL A 86 4.658 -4.052 -2.054 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.460 -5.308 -4.280 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.156 -4.121 -4.041 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.520 -3.739 -5.118 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.590 -5.091 -3.297 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.894 -3.515 -4.066 1.00 0.32 H new ATOM 0 HG23 VAL A 86 7.062 -3.692 -2.303 1.00 0.32 H new ATOM 1331 N LEU A 87 2.311 -1.512 -2.615 1.00 0.20 N ATOM 1332 CA LEU A 87 1.028 -1.312 -1.900 1.00 0.22 C ATOM 1333 C LEU A 87 -0.180 -1.957 -2.600 1.00 0.22 C ATOM 1334 O LEU A 87 -0.253 -2.011 -3.840 1.00 0.26 O ATOM 1335 CB LEU A 87 0.710 0.207 -1.666 1.00 0.31 C ATOM 1336 CG LEU A 87 1.346 1.263 -2.630 1.00 0.50 C ATOM 1337 CD1 LEU A 87 0.704 1.273 -4.015 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.251 2.667 -2.032 1.00 0.88 C ATOM 0 H LEU A 87 2.268 -1.350 -3.621 1.00 0.20 H new ATOM 0 HA LEU A 87 1.177 -1.814 -0.944 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.372 0.329 -1.709 1.00 0.31 H new ATOM 0 HB3 LEU A 87 1.019 0.457 -0.651 1.00 0.31 H new ATOM 0 HG LEU A 87 2.389 0.970 -2.747 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.189 2.026 -4.636 1.00 1.25 H new ATOM 0 HD12 LEU A 87 0.820 0.293 -4.477 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -0.357 1.507 -3.923 1.00 1.25 H new ATOM 0 HD21 LEU A 87 1.699 3.386 -2.718 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.204 2.924 -1.870 1.00 0.88 H new ATOM 0 HD23 LEU A 87 1.782 2.694 -1.081 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.145 -2.437 -1.774 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.407 -3.010 -2.302 1.00 0.26 C ATOM 1352 C LYS A 88 -3.588 -2.059 -2.016 1.00 0.27 C ATOM 1353 O LYS A 88 -3.886 -1.724 -0.868 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.691 -4.444 -1.739 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.954 -5.176 -2.290 1.00 0.46 C ATOM 1356 CD LYS A 88 -5.268 -4.683 -1.655 1.00 1.53 C ATOM 1357 CE LYS A 88 -6.489 -5.325 -2.317 1.00 2.13 C ATOM 1358 NZ LYS A 88 -6.264 -6.748 -2.649 1.00 2.52 N ATOM 0 H LYS A 88 -1.075 -2.439 -0.756 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.292 -3.115 -3.381 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.821 -5.068 -1.942 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -2.785 -4.372 -0.656 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -4.005 -5.036 -3.370 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.852 -6.247 -2.112 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -5.267 -4.914 -0.590 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -5.332 -3.599 -1.746 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -7.347 -5.241 -1.650 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -6.737 -4.777 -3.226 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -7.036 -7.089 -3.257 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -5.359 -6.848 -3.151 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -6.239 -7.309 -1.774 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.263 -1.660 -3.098 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.438 -0.785 -3.035 1.00 0.29 C ATOM 1374 C PHE A 89 -6.727 -1.581 -3.389 1.00 0.31 C ATOM 1375 O PHE A 89 -6.751 -2.387 -4.338 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.275 0.397 -4.018 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.461 1.597 -3.523 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.771 2.255 -2.318 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.356 2.050 -4.245 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -3.999 3.307 -1.873 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.598 3.112 -3.796 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.035 3.827 -2.639 1.00 0.31 C ATOM 0 H PHE A 89 -4.009 -1.936 -4.047 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.526 -0.400 -2.019 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.807 0.021 -4.928 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.269 0.750 -4.293 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.622 1.933 -1.736 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -3.090 1.561 -5.171 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.176 3.717 -0.890 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.692 3.397 -4.309 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.591 4.778 -2.386 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.799 -1.336 -2.594 1.00 0.33 N ATOM 1393 CA ALA A 90 -9.134 -2.017 -2.740 1.00 0.36 C ATOM 1394 C ALA A 90 -10.317 -1.030 -2.422 1.00 0.39 C ATOM 1395 O ALA A 90 -10.130 -0.011 -1.716 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.252 -3.245 -1.784 1.00 0.41 C ATOM 0 H ALA A 90 -7.774 -0.662 -1.829 1.00 0.33 H new ATOM 0 HA ALA A 90 -9.201 -2.350 -3.776 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.227 -3.715 -1.914 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.468 -3.965 -2.018 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.143 -2.914 -0.751 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.537 -1.331 -2.956 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.765 -0.535 -2.690 1.00 0.53 C ATOM 1404 C GLU A 91 -14.014 -1.258 -3.222 1.00 0.63 C ATOM 1405 O GLU A 91 -14.079 -1.640 -4.397 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.696 0.880 -3.307 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.696 1.896 -2.725 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.656 3.228 -3.452 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -12.852 4.098 -3.057 1.00 2.61 O ATOM 1410 OE2 GLU A 91 -14.430 3.400 -4.418 1.00 1.94 O ATOM 0 H GLU A 91 -11.692 -2.125 -3.577 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.833 -0.430 -1.607 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.687 1.269 -3.173 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.866 0.800 -4.381 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.703 1.484 -2.782 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.476 2.054 -1.669 1.00 1.80 H new ATOM 1417 N VAL A 92 -15.012 -1.422 -2.338 1.00 0.60 N ATOM 1418 CA VAL A 92 -16.298 -2.094 -2.694 1.00 0.76 C ATOM 1419 C VAL A 92 -17.523 -1.257 -2.220 1.00 0.66 C ATOM 1420 O VAL A 92 -18.195 -1.608 -1.243 1.00 1.19 O ATOM 1421 CB VAL A 92 -16.447 -3.622 -2.203 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.989 -4.605 -3.299 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -15.711 -3.986 -0.872 1.00 2.00 C ATOM 0 H VAL A 92 -14.965 -1.103 -1.370 1.00 0.60 H new ATOM 0 HA VAL A 92 -16.275 -2.144 -3.783 1.00 0.76 H new ATOM 0 HB VAL A 92 -17.513 -3.718 -1.999 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -16.101 -5.628 -2.940 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -16.599 -4.465 -4.191 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.943 -4.418 -3.542 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -15.880 -5.037 -0.639 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -14.642 -3.807 -0.987 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -16.098 -3.368 -0.062 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.787 -0.143 -2.931 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.913 0.763 -2.613 1.00 0.80 C ATOM 1435 C TYR A 93 -19.299 1.658 -3.816 1.00 0.86 C ATOM 1436 O TYR A 93 -20.483 1.774 -4.141 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.572 1.652 -1.395 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.741 1.875 -0.420 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -19.993 0.989 0.633 1.00 1.14 C ATOM 1440 CD2 TYR A 93 -20.591 2.979 -0.555 1.00 1.01 C ATOM 1441 CE1 TYR A 93 -21.047 1.196 1.510 1.00 1.47 C ATOM 1442 CE2 TYR A 93 -21.644 3.184 0.324 1.00 1.43 C ATOM 1443 CZ TYR A 93 -21.865 2.271 1.353 1.00 1.67 C ATOM 1444 OH TYR A 93 -22.908 2.502 2.220 1.00 2.27 O ATOM 0 H TYR A 93 -17.233 0.154 -3.734 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.769 0.131 -2.375 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.743 1.199 -0.851 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -18.225 2.621 -1.754 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -19.355 0.128 0.765 1.00 1.14 H new ATOM 0 HD2 TYR A 93 -20.424 3.683 -1.357 1.00 1.01 H new ATOM 0 HE1 TYR A 93 -21.219 0.502 2.319 1.00 1.47 H new ATOM 0 HE2 TYR A 93 -22.287 4.044 0.212 1.00 1.43 H new ATOM 0 HH TYR A 93 -23.382 3.317 1.952 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.291 2.287 -4.472 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.521 3.173 -5.633 1.00 0.82 C ATOM 1456 C PHE A 94 -17.891 2.589 -6.912 1.00 0.76 C ATOM 1457 O PHE A 94 -16.667 2.433 -7.000 1.00 0.79 O ATOM 1458 CB PHE A 94 -17.934 4.581 -5.374 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.373 5.225 -4.058 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -19.644 5.795 -3.918 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -17.511 5.263 -2.962 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -20.033 6.382 -2.724 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -17.903 5.849 -1.767 1.00 1.23 C ATOM 1464 CZ PHE A 94 -19.188 6.397 -1.650 1.00 1.37 C ATOM 0 H PHE A 94 -17.309 2.194 -4.212 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.599 3.251 -5.773 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.846 4.514 -5.384 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -18.221 5.236 -6.197 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -20.331 5.777 -4.751 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -16.525 4.830 -3.045 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -21.012 6.831 -2.642 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -17.221 5.883 -0.930 1.00 1.23 H new ATOM 0 HZ PHE A 94 -19.509 6.830 -0.714 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.751 2.271 -7.915 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.299 1.694 -9.205 1.00 0.73 C ATOM 1476 C ALA A 95 -18.294 2.752 -10.352 1.00 0.72 C ATOM 1477 O ALA A 95 -19.334 3.116 -10.936 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.146 0.442 -9.566 1.00 0.82 C ATOM 0 H ALA A 95 -19.760 2.405 -7.853 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.264 1.374 -9.085 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -18.802 0.031 -10.515 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.036 -0.309 -8.784 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.195 0.725 -9.653 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.085 3.285 -10.614 1.00 0.65 N ATOM 1485 CA GLN A 96 -16.851 4.296 -11.672 1.00 0.66 C ATOM 1486 C GLN A 96 -15.360 4.333 -12.086 1.00 0.58 C ATOM 1487 O GLN A 96 -14.476 3.901 -11.334 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.315 5.697 -11.198 1.00 0.72 C ATOM 1489 CG GLN A 96 -17.990 6.570 -12.281 1.00 1.40 C ATOM 1490 CD GLN A 96 -19.352 6.048 -12.718 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -20.377 6.382 -12.122 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -19.369 5.232 -13.767 1.00 2.45 N ATOM 0 H GLN A 96 -16.242 3.029 -10.101 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.438 4.011 -12.545 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -18.013 5.570 -10.370 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -16.451 6.235 -10.807 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -18.104 7.585 -11.900 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -17.335 6.627 -13.151 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -18.497 4.981 -14.232 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -20.255 4.857 -14.107 1.00 2.45 H new ATOM 1501 N SER A 97 -15.080 4.894 -13.283 1.00 0.64 N ATOM 1502 CA SER A 97 -13.701 4.950 -13.822 1.00 0.62 C ATOM 1503 C SER A 97 -13.079 6.365 -13.815 1.00 0.81 C ATOM 1504 O SER A 97 -12.280 6.671 -12.929 1.00 1.66 O ATOM 1505 CB SER A 97 -13.672 4.349 -15.238 1.00 0.68 C ATOM 1506 OG SER A 97 -13.774 2.932 -15.202 1.00 0.73 O ATOM 0 H SER A 97 -15.784 5.312 -13.891 1.00 0.64 H new ATOM 0 HA SER A 97 -13.081 4.357 -13.150 1.00 0.62 H new ATOM 0 HB2 SER A 97 -14.493 4.760 -15.826 1.00 0.68 H new ATOM 0 HB3 SER A 97 -12.747 4.636 -15.738 1.00 0.68 H new ATOM 0 HG SER A 97 -13.120 2.541 -15.819 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.447 7.233 -14.794 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.908 8.622 -14.872 1.00 0.54 C ATOM 1514 C GLN A 98 -13.863 9.639 -14.193 1.00 0.56 C ATOM 1515 O GLN A 98 -14.523 10.460 -14.841 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.651 9.019 -16.341 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.515 8.244 -17.024 1.00 1.06 C ATOM 1518 CD GLN A 98 -11.245 8.738 -18.432 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -11.829 8.245 -19.396 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -10.357 9.717 -18.555 1.00 1.60 N ATOM 0 H GLN A 98 -14.108 7.001 -15.535 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.961 8.643 -14.332 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -13.569 8.869 -16.910 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -12.422 10.084 -16.381 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -10.607 8.336 -16.429 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.769 7.185 -17.056 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.897 10.095 -17.727 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -10.135 10.091 -19.478 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.903 9.530 -12.860 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.731 10.358 -11.964 1.00 0.58 C ATOM 1531 C GLN A 99 -14.144 10.312 -10.538 1.00 0.57 C ATOM 1532 O GLN A 99 -14.113 11.331 -9.844 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.192 9.862 -11.944 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.240 10.944 -11.633 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.642 10.376 -11.520 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -19.372 10.296 -12.508 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -19.026 9.978 -10.312 1.00 2.02 N ATOM 0 H GLN A 99 -13.344 8.842 -12.355 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.726 11.383 -12.334 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.424 9.421 -12.913 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.280 9.068 -11.203 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.977 11.443 -10.700 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.220 11.701 -12.417 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.388 10.063 -9.520 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -19.959 9.588 -10.176 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.677 9.101 -10.107 1.00 0.53 N ATOM 1547 CA LYS A 100 -13.037 8.909 -8.795 1.00 0.55 C ATOM 1548 C LYS A 100 -11.517 8.732 -8.996 1.00 0.48 C ATOM 1549 O LYS A 100 -10.982 7.616 -8.981 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.640 7.686 -8.063 1.00 0.64 C ATOM 1551 CG LYS A 100 -14.843 7.994 -7.132 1.00 1.11 C ATOM 1552 CD LYS A 100 -16.088 8.491 -7.901 1.00 1.52 C ATOM 1553 CE LYS A 100 -17.266 8.801 -6.960 1.00 2.14 C ATOM 1554 NZ LYS A 100 -16.940 9.903 -6.012 1.00 2.76 N ATOM 0 H LYS A 100 -13.739 8.248 -10.663 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.219 9.786 -8.174 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.957 6.957 -8.809 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -12.855 7.215 -7.471 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.103 7.095 -6.573 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -14.548 8.748 -6.403 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.831 9.387 -8.466 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -16.392 7.735 -8.625 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -18.140 9.076 -7.550 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.529 7.904 -6.399 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -17.803 10.198 -5.513 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -16.237 9.570 -5.322 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -16.552 10.711 -6.539 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.845 9.879 -9.194 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.381 9.942 -9.455 1.00 0.40 C ATOM 1570 C VAL A 101 -8.618 10.557 -8.253 1.00 0.41 C ATOM 1571 O VAL A 101 -8.888 11.686 -7.828 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.975 10.680 -10.827 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.913 9.683 -12.001 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.887 11.869 -11.257 1.00 0.68 C ATOM 0 H VAL A 101 -11.295 10.794 -9.179 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.075 8.903 -9.580 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.996 11.101 -10.599 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.636 10.212 -12.913 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.170 8.915 -11.787 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.889 9.216 -12.134 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.520 12.289 -12.193 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.908 11.513 -11.395 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.872 12.637 -10.484 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.653 9.781 -7.735 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.844 10.169 -6.551 1.00 0.40 C ATOM 1586 C PHE A 102 -5.395 10.585 -6.878 1.00 0.38 C ATOM 1587 O PHE A 102 -4.942 10.449 -7.997 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.767 8.961 -5.612 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.121 8.389 -5.168 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.092 9.208 -4.572 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.415 7.034 -5.314 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.301 8.688 -4.143 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -9.627 6.520 -4.886 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.608 7.348 -4.417 1.00 0.69 C ATOM 0 H PHE A 102 -7.406 8.868 -8.118 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.338 11.035 -6.111 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.202 8.171 -6.108 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.203 9.247 -4.724 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.893 10.262 -4.446 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -7.688 6.377 -5.767 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -11.001 9.308 -3.603 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -9.799 5.454 -4.923 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.609 6.974 -4.259 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.670 11.116 -5.871 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.241 11.493 -6.050 1.00 0.34 C ATOM 1606 C ASP A 103 -2.380 10.790 -4.990 1.00 0.32 C ATOM 1607 O ASP A 103 -2.724 10.770 -3.804 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.978 13.018 -5.975 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.671 13.859 -7.052 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.136 13.273 -8.052 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -3.744 15.094 -6.889 1.00 1.33 O ATOM 0 H ASP A 103 -5.038 11.294 -4.937 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.972 11.173 -7.057 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.298 13.377 -4.997 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.903 13.188 -6.041 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.237 10.242 -5.427 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.323 9.487 -4.541 1.00 0.28 C ATOM 1618 C VAL A 104 1.161 10.026 -4.712 1.00 0.26 C ATOM 1619 O VAL A 104 1.724 10.026 -5.831 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.577 7.893 -4.779 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.644 6.977 -4.627 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.653 7.351 -3.820 1.00 0.48 C ATOM 0 H VAL A 104 -0.917 10.305 -6.394 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.523 9.645 -3.481 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.882 7.859 -5.825 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.349 5.944 -4.809 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.409 7.268 -5.347 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.043 7.068 -3.617 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.800 6.287 -4.003 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.331 7.501 -2.790 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.591 7.881 -3.988 1.00 0.48 H new ATOM 1632 N ARG A 105 1.775 10.409 -3.554 1.00 0.26 N ATOM 1633 CA ARG A 105 3.138 11.012 -3.510 1.00 0.26 C ATOM 1634 C ARG A 105 4.161 10.277 -2.590 1.00 0.23 C ATOM 1635 O ARG A 105 3.789 9.719 -1.549 1.00 0.26 O ATOM 1636 CB ARG A 105 3.052 12.477 -2.997 1.00 0.33 C ATOM 1637 CG ARG A 105 1.762 13.252 -3.354 1.00 0.53 C ATOM 1638 CD ARG A 105 1.893 14.758 -3.078 1.00 0.51 C ATOM 1639 NE ARG A 105 0.631 15.451 -3.308 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.534 16.747 -3.612 1.00 1.25 C ATOM 1641 NH1 ARG A 105 1.617 17.513 -3.652 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.653 17.281 -3.863 1.00 1.69 N ATOM 0 H ARG A 105 1.343 10.309 -2.635 1.00 0.26 H new ATOM 0 HA ARG A 105 3.499 10.935 -4.536 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.156 12.466 -1.912 1.00 0.33 H new ATOM 0 HB3 ARG A 105 3.904 13.029 -3.394 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.527 13.097 -4.407 1.00 0.53 H new ATOM 0 HG3 ARG A 105 0.928 12.850 -2.778 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.214 14.914 -2.048 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.665 15.182 -3.720 1.00 0.51 H new ATOM 0 HE ARG A 105 -0.231 14.912 -3.232 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.533 17.112 -3.450 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.534 18.502 -3.885 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.492 16.702 -3.824 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.728 18.271 -4.095 1.00 1.69 H new ATOM 1656 N VAL A 106 5.476 10.325 -2.984 1.00 0.23 N ATOM 1657 CA VAL A 106 6.598 9.712 -2.175 1.00 0.23 C ATOM 1658 C VAL A 106 7.749 10.733 -1.843 1.00 0.22 C ATOM 1659 O VAL A 106 8.478 11.176 -2.734 1.00 0.23 O ATOM 1660 CB VAL A 106 7.224 8.344 -2.751 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.291 7.140 -2.513 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.632 8.372 -4.250 1.00 0.60 C ATOM 0 H VAL A 106 5.787 10.775 -3.845 1.00 0.23 H new ATOM 0 HA VAL A 106 6.086 9.435 -1.253 1.00 0.23 H new ATOM 0 HB VAL A 106 8.146 8.235 -2.180 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.751 6.238 -2.917 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.124 7.015 -1.443 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.337 7.315 -3.011 1.00 0.57 H new ATOM 0 HG21 VAL A 106 8.041 7.402 -4.534 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.756 8.589 -4.861 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.385 9.144 -4.408 1.00 0.60 H new ATOM 1672 N ASN A 107 7.890 11.082 -0.519 1.00 0.23 N ATOM 1673 CA ASN A 107 8.903 12.064 0.058 1.00 0.23 C ATOM 1674 C ASN A 107 8.721 13.532 -0.448 1.00 0.24 C ATOM 1675 O ASN A 107 9.676 14.319 -0.460 1.00 0.25 O ATOM 1676 CB ASN A 107 10.357 11.613 -0.222 1.00 0.23 C ATOM 1677 CG ASN A 107 11.255 11.597 1.005 1.00 0.27 C ATOM 1678 OD1 ASN A 107 12.104 10.721 1.158 1.00 1.05 O ATOM 1679 ND2 ASN A 107 11.089 12.593 1.867 1.00 1.12 N ATOM 0 H ASN A 107 7.290 10.682 0.203 1.00 0.23 H new ATOM 0 HA ASN A 107 8.711 12.060 1.131 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.338 10.614 -0.657 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.793 12.277 -0.968 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.679 12.653 2.697 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.371 13.298 1.699 1.00 1.12 H new ATOM 1686 N GLY A 108 7.484 13.879 -0.841 1.00 0.25 N ATOM 1687 CA GLY A 108 7.206 15.192 -1.401 1.00 0.29 C ATOM 1688 C GLY A 108 7.037 15.192 -2.944 1.00 0.29 C ATOM 1689 O GLY A 108 6.544 16.161 -3.525 1.00 0.32 O ATOM 0 H GLY A 108 6.672 13.265 -0.778 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.298 15.586 -0.945 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.017 15.870 -1.134 1.00 0.29 H new ATOM 1693 N HIS A 109 7.462 14.068 -3.583 1.00 0.27 N ATOM 1694 CA HIS A 109 7.423 13.829 -5.039 1.00 0.28 C ATOM 1695 C HIS A 109 6.084 13.211 -5.526 1.00 0.30 C ATOM 1696 O HIS A 109 5.245 12.841 -4.721 1.00 0.57 O ATOM 1697 CB HIS A 109 8.546 12.832 -5.342 1.00 0.29 C ATOM 1698 CG HIS A 109 9.937 13.388 -5.215 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.521 14.188 -6.173 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.857 13.254 -4.225 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.738 14.524 -5.782 1.00 0.46 C ATOM 1702 NE2 HIS A 109 11.965 13.971 -4.604 1.00 0.36 N ATOM 0 H HIS A 109 7.855 13.278 -3.072 1.00 0.27 H new ATOM 0 HA HIS A 109 7.534 14.785 -5.551 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.448 11.981 -4.669 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.413 12.454 -6.356 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.082 14.476 -7.048 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.739 12.690 -3.312 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.429 15.145 -6.332 1.00 0.46 H new ATOM 1711 N THR A 110 5.895 13.099 -6.854 1.00 0.31 N ATOM 1712 CA THR A 110 4.658 12.482 -7.402 1.00 0.32 C ATOM 1713 C THR A 110 4.963 11.277 -8.295 1.00 0.35 C ATOM 1714 O THR A 110 5.814 11.334 -9.193 1.00 0.47 O ATOM 1715 CB THR A 110 3.695 13.453 -8.170 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.354 14.665 -8.586 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.462 13.801 -7.318 1.00 0.47 C ATOM 0 H THR A 110 6.561 13.417 -7.558 1.00 0.31 H new ATOM 0 HA THR A 110 4.126 12.168 -6.504 1.00 0.32 H new ATOM 0 HB THR A 110 3.375 12.921 -9.066 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.716 15.238 -9.061 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.813 14.475 -7.876 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.917 12.888 -7.078 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.782 14.286 -6.396 1.00 0.47 H new ATOM 1725 N VAL A 111 4.226 10.186 -8.038 1.00 0.29 N ATOM 1726 CA VAL A 111 4.408 8.913 -8.782 1.00 0.35 C ATOM 1727 C VAL A 111 3.109 8.422 -9.479 1.00 0.35 C ATOM 1728 O VAL A 111 3.117 8.207 -10.694 1.00 0.39 O ATOM 1729 CB VAL A 111 5.086 7.732 -7.937 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.624 7.864 -7.951 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.599 7.585 -6.458 1.00 1.00 C ATOM 0 H VAL A 111 3.498 10.151 -7.324 1.00 0.29 H new ATOM 0 HA VAL A 111 5.126 9.176 -9.559 1.00 0.35 H new ATOM 0 HB VAL A 111 4.760 6.825 -8.447 1.00 0.38 H new ATOM 0 HG11 VAL A 111 7.064 7.052 -7.372 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.984 7.813 -8.979 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.911 8.820 -7.513 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.124 6.756 -5.983 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.807 8.506 -5.913 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.527 7.390 -6.446 1.00 1.00 H new ATOM 1741 N VAL A 112 1.999 8.242 -8.713 1.00 0.33 N ATOM 1742 CA VAL A 112 0.717 7.790 -9.325 1.00 0.35 C ATOM 1743 C VAL A 112 -0.354 8.875 -9.084 1.00 0.34 C ATOM 1744 O VAL A 112 -1.084 8.846 -8.090 1.00 0.32 O ATOM 1745 CB VAL A 112 0.146 6.343 -8.863 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.444 5.560 -10.063 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.167 5.410 -8.171 1.00 0.40 C ATOM 0 H VAL A 112 1.962 8.396 -7.705 1.00 0.33 H new ATOM 0 HA VAL A 112 0.947 7.648 -10.381 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.614 6.604 -8.127 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -0.818 4.595 -9.720 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.262 6.130 -10.503 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.332 5.403 -10.812 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.680 4.472 -7.905 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.995 5.209 -8.851 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.546 5.891 -7.269 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.429 9.822 -10.042 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.396 10.917 -10.001 1.00 0.38 C ATOM 1759 C LYS A 113 -2.509 10.691 -11.029 1.00 0.43 C ATOM 1760 O LYS A 113 -2.326 10.783 -12.248 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.712 12.274 -10.216 1.00 0.42 C ATOM 1762 CG LYS A 113 -1.634 13.497 -9.926 1.00 1.12 C ATOM 1763 CD LYS A 113 -1.260 14.763 -10.729 1.00 1.27 C ATOM 1764 CE LYS A 113 0.088 15.357 -10.300 1.00 1.50 C ATOM 1765 NZ LYS A 113 0.014 15.955 -8.938 1.00 2.30 N ATOM 0 H LYS A 113 0.181 9.841 -10.859 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.846 10.932 -9.008 1.00 0.38 H new ATOM 0 HB2 LYS A 113 0.167 12.333 -9.574 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.359 12.333 -11.246 1.00 0.42 H new ATOM 0 HG2 LYS A 113 -2.665 13.225 -10.153 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -1.592 13.728 -8.861 1.00 1.12 H new ATOM 0 HD2 LYS A 113 -1.224 14.518 -11.790 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -2.040 15.513 -10.602 1.00 1.27 H new ATOM 0 HE2 LYS A 113 0.851 14.579 -10.315 1.00 1.50 H new ATOM 0 HE3 LYS A 113 0.395 16.119 -11.016 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 0.922 16.407 -8.707 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 -0.743 16.667 -8.912 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 -0.188 15.209 -8.242 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.652 10.378 -10.428 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.973 10.037 -11.042 1.00 0.42 C ATOM 1781 C ASP A 114 -5.186 8.524 -10.914 1.00 0.38 C ATOM 1782 O ASP A 114 -5.127 7.780 -11.901 1.00 0.40 O ATOM 1783 CB ASP A 114 -5.205 10.502 -12.514 1.00 0.50 C ATOM 1784 CG ASP A 114 -5.572 11.980 -12.641 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.649 12.821 -12.665 1.00 2.09 O ATOM 1786 OD2 ASP A 114 -6.779 12.290 -12.719 1.00 2.48 O ATOM 0 H ASP A 114 -3.705 10.348 -9.410 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.713 10.610 -10.484 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -4.302 10.310 -13.093 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -6.000 9.900 -12.955 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.424 8.075 -9.654 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.620 6.656 -9.346 1.00 0.36 C ATOM 1793 C LEU A 115 -7.096 6.245 -9.404 1.00 0.38 C ATOM 1794 O LEU A 115 -7.885 6.525 -8.492 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.007 6.271 -7.974 1.00 0.38 C ATOM 1796 CG LEU A 115 -3.970 5.100 -7.954 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.301 4.998 -6.610 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.570 3.735 -8.309 1.00 1.06 C ATOM 0 H LEU A 115 -5.483 8.687 -8.840 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.091 6.104 -10.123 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.524 7.156 -7.560 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.824 6.010 -7.301 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.243 5.350 -8.727 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.585 4.177 -6.622 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.781 5.930 -6.391 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -4.053 4.813 -5.843 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.790 2.974 -8.274 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.353 3.485 -7.594 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -4.994 3.774 -9.312 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.439 5.639 -10.551 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.777 5.087 -10.817 1.00 0.43 C ATOM 1812 C ASP A 116 -8.683 3.538 -10.836 1.00 0.42 C ATOM 1813 O ASP A 116 -8.406 2.915 -11.870 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.452 5.678 -12.124 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.557 5.833 -13.379 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.929 4.834 -13.788 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -8.496 6.950 -13.932 1.00 1.83 O ATOM 0 H ASP A 116 -6.789 5.517 -11.328 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.445 5.394 -10.012 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.294 5.038 -12.387 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.861 6.658 -11.879 1.00 0.46 H new ATOM 1822 N ILE A 117 -8.917 2.948 -9.638 1.00 0.42 N ATOM 1823 CA ILE A 117 -8.841 1.464 -9.352 1.00 0.42 C ATOM 1824 C ILE A 117 -9.749 0.532 -10.221 1.00 0.44 C ATOM 1825 O ILE A 117 -9.364 -0.607 -10.514 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.156 1.145 -7.846 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -10.047 2.255 -7.191 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -7.846 0.917 -7.037 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -11.142 1.743 -6.265 1.00 0.68 C ATOM 0 H ILE A 117 -9.171 3.491 -8.813 1.00 0.42 H new ATOM 0 HA ILE A 117 -7.808 1.238 -9.618 1.00 0.42 H new ATOM 0 HB ILE A 117 -9.730 0.218 -7.821 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -9.403 2.930 -6.628 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -10.509 2.843 -7.984 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.093 0.698 -5.998 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -7.296 0.078 -7.464 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.230 1.815 -7.082 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -11.702 2.587 -5.863 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -11.816 1.093 -6.823 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.693 1.182 -5.446 1.00 0.68 H new ATOM 1841 N PHE A 118 -10.932 1.048 -10.652 1.00 0.48 N ATOM 1842 CA PHE A 118 -11.903 0.307 -11.502 1.00 0.51 C ATOM 1843 C PHE A 118 -11.421 0.179 -12.990 1.00 0.53 C ATOM 1844 O PHE A 118 -11.569 -0.880 -13.601 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.265 1.030 -11.436 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.457 0.220 -11.945 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.120 -0.686 -11.114 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -14.909 0.368 -13.256 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.199 -1.418 -11.578 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -15.989 -0.364 -13.721 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.638 -1.261 -12.869 1.00 0.77 C ATOM 0 H PHE A 118 -11.239 1.992 -10.419 1.00 0.48 H new ATOM 0 HA PHE A 118 -11.992 -0.709 -11.118 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.456 1.317 -10.402 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.198 1.951 -12.015 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.786 -0.817 -10.095 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -14.411 1.062 -13.917 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.698 -2.116 -10.922 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.328 -0.242 -14.739 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.484 -1.830 -13.226 1.00 0.77 H new ATOM 1861 N ASP A 119 -10.825 1.279 -13.540 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.245 1.327 -14.919 1.00 0.54 C ATOM 1863 C ASP A 119 -8.878 0.560 -15.048 1.00 0.53 C ATOM 1864 O ASP A 119 -8.528 0.106 -16.140 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.065 2.794 -15.361 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.558 3.078 -16.783 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.710 2.715 -17.102 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -9.784 3.657 -17.574 1.00 0.91 O ATOM 0 H ASP A 119 -10.733 2.161 -13.037 1.00 0.52 H new ATOM 0 HA ASP A 119 -10.953 0.817 -15.573 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.600 3.441 -14.666 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.009 3.057 -15.294 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.122 0.435 -13.915 1.00 0.49 N ATOM 1874 CA ARG A 120 -6.815 -0.274 -13.868 1.00 0.48 C ATOM 1875 C ARG A 120 -6.949 -1.825 -13.825 1.00 0.50 C ATOM 1876 O ARG A 120 -6.416 -2.502 -14.708 1.00 0.54 O ATOM 1877 CB ARG A 120 -5.997 0.200 -12.654 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.593 1.698 -12.670 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.394 2.003 -13.588 1.00 0.52 C ATOM 1880 NE ARG A 120 -4.011 3.410 -13.518 1.00 1.23 N ATOM 1881 CZ ARG A 120 -3.044 3.951 -14.254 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.367 3.208 -15.120 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.754 5.238 -14.125 1.00 2.43 N ATOM 0 H ARG A 120 -8.405 0.823 -13.015 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.303 -0.024 -14.797 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.574 0.006 -11.750 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.091 -0.403 -12.589 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.448 2.293 -12.993 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.351 2.012 -11.654 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.547 1.380 -13.301 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.647 1.744 -14.616 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.514 4.013 -12.867 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -2.587 2.217 -15.224 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.626 3.627 -15.682 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.272 5.814 -13.461 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -2.012 5.653 -14.689 1.00 2.43 H new ATOM 1897 N VAL A 121 -7.656 -2.388 -12.805 1.00 0.48 N ATOM 1898 CA VAL A 121 -7.849 -3.881 -12.724 1.00 0.51 C ATOM 1899 C VAL A 121 -9.238 -4.400 -13.253 1.00 0.56 C ATOM 1900 O VAL A 121 -9.297 -5.507 -13.798 1.00 0.62 O ATOM 1901 CB VAL A 121 -7.539 -4.548 -11.299 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.039 -4.883 -11.160 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -7.985 -3.719 -10.055 1.00 0.93 C ATOM 0 H VAL A 121 -8.091 -1.860 -12.048 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.075 -4.219 -13.413 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.149 -5.452 -11.298 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -5.856 -5.334 -10.185 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -5.748 -5.582 -11.944 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -5.452 -3.969 -11.253 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -7.728 -4.261 -9.145 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -7.476 -2.755 -10.059 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.063 -3.561 -10.091 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.331 -3.614 -13.095 1.00 0.57 N ATOM 1914 CA GLY A 122 -11.653 -4.048 -13.562 1.00 0.63 C ATOM 1915 C GLY A 122 -12.729 -3.946 -12.485 1.00 0.66 C ATOM 1916 O GLY A 122 -13.026 -2.852 -11.997 1.00 0.85 O ATOM 0 H GLY A 122 -10.317 -2.694 -12.655 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -11.946 -3.442 -14.419 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -11.589 -5.080 -13.908 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.320 -5.098 -12.119 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.362 -5.143 -11.075 1.00 0.87 C ATOM 1922 C HIS A 123 -13.886 -5.946 -9.847 1.00 0.73 C ATOM 1923 O HIS A 123 -13.772 -7.177 -9.889 1.00 1.34 O ATOM 1924 CB HIS A 123 -15.702 -5.711 -11.630 1.00 1.38 C ATOM 1925 CG HIS A 123 -15.586 -6.976 -12.448 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -15.868 -8.228 -11.941 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -15.233 -7.171 -13.743 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -15.693 -9.135 -12.885 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -15.310 -8.520 -13.988 1.00 3.01 N ATOM 0 H HIS A 123 -13.096 -6.005 -12.527 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.547 -4.118 -10.754 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -16.370 -5.903 -10.790 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -16.174 -4.944 -12.244 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -14.945 -6.407 -14.450 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -15.839 -10.199 -12.773 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -15.104 -8.973 -14.878 1.00 3.01 H new ATOM 1938 N SER A 124 -13.598 -5.197 -8.745 1.00 0.86 N ATOM 1939 CA SER A 124 -13.108 -5.732 -7.425 1.00 0.70 C ATOM 1940 C SER A 124 -11.631 -6.265 -7.485 1.00 0.99 C ATOM 1941 O SER A 124 -10.760 -5.578 -8.029 1.00 2.08 O ATOM 1942 CB SER A 124 -14.086 -6.789 -6.840 1.00 0.73 C ATOM 1943 OG SER A 124 -15.348 -6.216 -6.524 1.00 1.20 O ATOM 0 H SER A 124 -13.700 -4.182 -8.742 1.00 0.86 H new ATOM 0 HA SER A 124 -13.089 -4.885 -6.739 1.00 0.70 H new ATOM 0 HB2 SER A 124 -14.222 -7.597 -7.559 1.00 0.73 H new ATOM 0 HB3 SER A 124 -13.651 -7.231 -5.943 1.00 0.73 H new ATOM 0 HG SER A 124 -15.939 -6.908 -6.160 1.00 1.20 H new ATOM 1949 N THR A 125 -11.359 -7.481 -6.891 1.00 0.56 N ATOM 1950 CA THR A 125 -10.003 -8.188 -6.861 1.00 0.51 C ATOM 1951 C THR A 125 -8.855 -7.368 -6.147 1.00 0.48 C ATOM 1952 O THR A 125 -9.132 -6.580 -5.233 1.00 0.51 O ATOM 1953 CB THR A 125 -9.524 -8.738 -8.292 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.289 -7.678 -9.240 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.508 -9.753 -8.943 1.00 0.62 C ATOM 0 H THR A 125 -12.083 -8.014 -6.409 1.00 0.56 H new ATOM 0 HA THR A 125 -10.191 -9.060 -6.234 1.00 0.51 H new ATOM 0 HB THR A 125 -8.591 -9.255 -8.067 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.628 -6.833 -8.877 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.113 -10.077 -9.906 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.624 -10.618 -8.289 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.477 -9.277 -9.090 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.570 -7.579 -6.555 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.417 -6.866 -5.961 1.00 0.43 C ATOM 1965 C ALA A 126 -5.719 -5.870 -6.928 1.00 0.38 C ATOM 1966 O ALA A 126 -5.409 -6.203 -8.086 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.357 -7.880 -5.450 1.00 0.46 C ATOM 0 H ALA A 126 -7.315 -8.237 -7.292 1.00 0.46 H new ATOM 0 HA ALA A 126 -6.834 -6.283 -5.140 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.516 -7.339 -5.016 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -5.804 -8.523 -4.692 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.006 -8.490 -6.282 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.502 -4.618 -6.444 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.737 -3.611 -7.204 1.00 0.32 C ATOM 1975 C HIS A 127 -3.374 -3.405 -6.506 1.00 0.31 C ATOM 1976 O HIS A 127 -3.320 -3.092 -5.320 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.479 -2.260 -7.330 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.820 -1.309 -8.314 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.279 -1.727 -9.517 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.536 0.016 -8.227 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.689 -0.706 -10.112 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.834 0.358 -9.353 1.00 0.38 N ATOM 0 H HIS A 127 -5.845 -4.291 -5.541 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.604 -3.983 -8.220 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.506 -2.444 -7.644 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.526 -1.785 -6.350 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.812 0.678 -7.420 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.175 -0.739 -11.061 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.480 1.290 -9.568 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.280 -3.583 -7.248 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.932 -3.468 -6.663 1.00 0.33 C ATOM 1993 C ASP A 128 0.058 -2.745 -7.578 1.00 0.30 C ATOM 1994 O ASP A 128 0.212 -3.086 -8.758 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.369 -4.864 -6.321 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.568 -5.267 -4.861 1.00 1.70 C ATOM 1997 OD1 ASP A 128 -1.623 -5.854 -4.544 1.00 2.10 O ATOM 1998 OD2 ASP A 128 0.335 -4.992 -4.042 1.00 2.50 O ATOM 0 H ASP A 128 -2.293 -3.805 -8.243 1.00 0.32 H new ATOM 0 HA ASP A 128 -1.046 -2.871 -5.758 1.00 0.33 H new ATOM 0 HB2 ASP A 128 -0.847 -5.605 -6.961 1.00 0.45 H new ATOM 0 HB3 ASP A 128 0.696 -4.883 -6.552 1.00 0.45 H new ATOM 2003 N GLU A 129 0.738 -1.742 -7.000 1.00 0.25 N ATOM 2004 CA GLU A 129 1.764 -0.973 -7.721 1.00 0.30 C ATOM 2005 C GLU A 129 3.161 -1.165 -7.092 1.00 0.27 C ATOM 2006 O GLU A 129 3.335 -1.122 -5.855 1.00 0.25 O ATOM 2007 CB GLU A 129 1.397 0.525 -7.788 1.00 0.43 C ATOM 2008 CG GLU A 129 0.277 0.873 -8.791 1.00 0.91 C ATOM 2009 CD GLU A 129 0.755 0.873 -10.235 1.00 0.76 C ATOM 2010 OE1 GLU A 129 1.252 1.921 -10.698 1.00 1.12 O ATOM 2011 OE2 GLU A 129 0.633 -0.178 -10.900 1.00 1.56 O ATOM 0 H GLU A 129 0.595 -1.445 -6.035 1.00 0.25 H new ATOM 0 HA GLU A 129 1.800 -1.359 -8.740 1.00 0.30 H new ATOM 0 HB2 GLU A 129 1.091 0.854 -6.795 1.00 0.43 H new ATOM 0 HB3 GLU A 129 2.290 1.092 -8.051 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.537 0.156 -8.683 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.129 1.855 -8.548 1.00 0.91 H new ATOM 2018 N ILE A 130 4.140 -1.384 -7.993 1.00 0.28 N ATOM 2019 CA ILE A 130 5.562 -1.619 -7.647 1.00 0.28 C ATOM 2020 C ILE A 130 6.431 -0.422 -8.127 1.00 0.29 C ATOM 2021 O ILE A 130 6.573 -0.184 -9.332 1.00 0.39 O ATOM 2022 CB ILE A 130 6.122 -2.971 -8.283 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.986 -3.953 -8.718 1.00 0.37 C ATOM 2024 CG2 ILE A 130 7.089 -3.718 -7.315 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.613 -3.908 -10.201 1.00 0.45 C ATOM 0 H ILE A 130 3.965 -1.403 -8.998 1.00 0.28 H new ATOM 0 HA ILE A 130 5.619 -1.712 -6.563 1.00 0.28 H new ATOM 0 HB ILE A 130 6.670 -2.659 -9.172 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.292 -4.969 -8.468 1.00 0.37 H new ATOM 0 HG13 ILE A 130 4.095 -3.734 -8.130 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.445 -4.632 -7.790 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.938 -3.076 -7.082 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.561 -3.969 -6.395 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.817 -4.626 -10.398 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.270 -2.906 -10.460 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.486 -4.160 -10.803 1.00 0.45 H new ATOM 2037 N ILE A 131 7.008 0.311 -7.157 1.00 0.21 N ATOM 2038 CA ILE A 131 7.847 1.489 -7.448 1.00 0.26 C ATOM 2039 C ILE A 131 9.255 1.368 -6.756 1.00 0.18 C ATOM 2040 O ILE A 131 9.361 1.648 -5.553 1.00 0.18 O ATOM 2041 CB ILE A 131 7.143 2.841 -6.995 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.584 2.708 -6.917 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.499 4.008 -7.973 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.966 2.954 -5.542 1.00 0.84 C ATOM 0 H ILE A 131 6.908 0.108 -6.162 1.00 0.21 H new ATOM 0 HA ILE A 131 7.984 1.519 -8.529 1.00 0.26 H new ATOM 0 HB ILE A 131 7.520 3.060 -5.996 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.142 3.410 -7.624 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.306 1.707 -7.246 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.006 4.922 -7.643 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.578 4.160 -7.981 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.161 3.756 -8.978 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.884 2.836 -5.603 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.370 2.236 -4.828 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.203 3.966 -5.212 1.00 0.84 H new ATOM 2056 N PRO A 132 10.359 0.915 -7.486 1.00 0.13 N ATOM 2057 CA PRO A 132 11.754 0.836 -6.915 1.00 0.09 C ATOM 2058 C PRO A 132 12.460 2.206 -6.740 1.00 0.08 C ATOM 2059 O PRO A 132 12.282 3.121 -7.548 1.00 0.16 O ATOM 2060 CB PRO A 132 12.536 -0.002 -7.951 1.00 0.13 C ATOM 2061 CG PRO A 132 11.476 -0.683 -8.763 1.00 0.16 C ATOM 2062 CD PRO A 132 10.345 0.322 -8.850 1.00 0.16 C ATOM 0 HA PRO A 132 11.714 0.414 -5.911 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.169 0.629 -8.575 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.189 -0.726 -7.464 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.846 -0.948 -9.753 1.00 0.16 H new ATOM 0 HG3 PRO A 132 11.147 -1.607 -8.288 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.521 1.070 -9.623 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.392 -0.154 -9.079 1.00 0.16 H new ATOM 2070 N ILE A 133 13.256 2.304 -5.663 1.00 0.07 N ATOM 2071 CA ILE A 133 13.997 3.531 -5.299 1.00 0.08 C ATOM 2072 C ILE A 133 15.523 3.231 -5.132 1.00 0.08 C ATOM 2073 O ILE A 133 15.922 2.151 -4.678 1.00 0.10 O ATOM 2074 CB ILE A 133 13.422 4.180 -3.954 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.880 3.922 -3.792 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.706 5.718 -3.884 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.393 3.603 -2.370 1.00 0.38 C ATOM 0 H ILE A 133 13.407 1.532 -5.014 1.00 0.07 H new ATOM 0 HA ILE A 133 13.863 4.245 -6.112 1.00 0.08 H new ATOM 0 HB ILE A 133 13.944 3.690 -3.132 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.346 4.803 -4.148 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.600 3.094 -4.444 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.300 6.121 -2.956 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.782 5.891 -3.915 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.234 6.214 -4.732 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.315 3.444 -2.382 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.889 2.702 -2.009 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.630 4.437 -1.709 1.00 0.38 H new ATOM 2089 N SER A 134 16.353 4.227 -5.497 1.00 0.10 N ATOM 2090 CA SER A 134 17.815 4.118 -5.369 1.00 0.12 C ATOM 2091 C SER A 134 18.416 5.366 -4.681 1.00 0.13 C ATOM 2092 O SER A 134 18.404 6.470 -5.234 1.00 0.15 O ATOM 2093 CB SER A 134 18.494 3.853 -6.748 1.00 0.15 C ATOM 2094 OG SER A 134 18.050 4.742 -7.777 1.00 1.31 O ATOM 0 H SER A 134 16.034 5.116 -5.883 1.00 0.10 H new ATOM 0 HA SER A 134 18.020 3.257 -4.732 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.574 3.947 -6.637 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.293 2.826 -7.053 1.00 0.15 H new ATOM 0 HG SER A 134 18.511 4.529 -8.615 1.00 1.31 H new ATOM 2100 N ILE A 135 18.944 5.154 -3.458 1.00 0.13 N ATOM 2101 CA ILE A 135 19.573 6.228 -2.644 1.00 0.15 C ATOM 2102 C ILE A 135 21.111 5.949 -2.538 1.00 0.18 C ATOM 2103 O ILE A 135 21.524 4.891 -2.054 1.00 0.18 O ATOM 2104 CB ILE A 135 18.885 6.350 -1.199 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.326 6.216 -1.306 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.270 7.679 -0.451 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.593 5.573 -0.102 1.00 0.15 C ATOM 0 H ILE A 135 18.949 4.241 -3.004 1.00 0.13 H new ATOM 0 HA ILE A 135 19.421 7.189 -3.135 1.00 0.15 H new ATOM 0 HB ILE A 135 19.273 5.524 -0.603 1.00 0.16 H new ATOM 0 HG12 ILE A 135 16.910 7.211 -1.464 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.096 5.629 -2.196 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.776 7.706 0.520 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.350 7.717 -0.309 1.00 0.25 H new ATOM 0 HG23 ILE A 135 18.951 8.536 -1.045 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.522 5.540 -0.303 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.965 4.560 0.051 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.776 6.166 0.794 1.00 0.15 H new ATOM 2119 N LYS A 136 21.931 6.924 -3.001 1.00 0.20 N ATOM 2120 CA LYS A 136 23.408 6.800 -2.984 1.00 0.23 C ATOM 2121 C LYS A 136 24.074 8.136 -2.640 1.00 0.28 C ATOM 2122 O LYS A 136 23.722 9.186 -3.200 1.00 0.29 O ATOM 2123 CB LYS A 136 23.924 6.286 -4.341 1.00 0.22 C ATOM 2124 CG LYS A 136 23.575 4.808 -4.604 1.00 0.25 C ATOM 2125 CD LYS A 136 23.843 4.372 -6.060 1.00 0.94 C ATOM 2126 CE LYS A 136 23.481 2.896 -6.297 1.00 1.23 C ATOM 2127 NZ LYS A 136 22.026 2.647 -6.102 1.00 2.05 N ATOM 0 H LYS A 136 21.594 7.804 -3.391 1.00 0.20 H new ATOM 0 HA LYS A 136 23.671 6.079 -2.210 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.503 6.899 -5.138 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.006 6.410 -4.381 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.156 4.178 -3.930 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.524 4.642 -4.369 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.265 5.000 -6.738 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.895 4.530 -6.298 1.00 0.94 H new ATOM 0 HE2 LYS A 136 23.767 2.609 -7.309 1.00 1.23 H new ATOM 0 HE3 LYS A 136 24.052 2.267 -5.614 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 21.888 2.015 -5.288 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 21.540 3.549 -5.926 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 21.632 2.202 -6.956 1.00 2.05 H new ATOM 2141 N LYS A 137 25.031 8.089 -1.656 1.00 0.33 N ATOM 2142 CA LYS A 137 25.800 9.288 -1.130 1.00 0.40 C ATOM 2143 C LYS A 137 24.940 10.277 -0.272 1.00 0.39 C ATOM 2144 O LYS A 137 25.396 11.368 0.091 1.00 0.42 O ATOM 2145 CB LYS A 137 26.457 10.076 -2.282 1.00 0.44 C ATOM 2146 CG LYS A 137 27.707 9.412 -2.901 1.00 0.99 C ATOM 2147 CD LYS A 137 28.066 9.983 -4.297 1.00 1.59 C ATOM 2148 CE LYS A 137 28.207 11.517 -4.294 1.00 2.70 C ATOM 2149 NZ LYS A 137 29.142 11.985 -3.233 1.00 3.55 N ATOM 0 H LYS A 137 25.297 7.217 -1.198 1.00 0.33 H new ATOM 0 HA LYS A 137 26.559 8.863 -0.473 1.00 0.40 H new ATOM 0 HB2 LYS A 137 25.717 10.225 -3.068 1.00 0.44 H new ATOM 0 HB3 LYS A 137 26.734 11.064 -1.914 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.555 9.549 -2.229 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.537 8.339 -2.986 1.00 0.99 H new ATOM 0 HD2 LYS A 137 29.000 9.537 -4.638 1.00 1.59 H new ATOM 0 HD3 LYS A 137 27.296 9.695 -5.012 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.566 11.851 -5.268 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.228 11.972 -4.142 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 29.356 12.992 -3.378 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 28.701 11.856 -2.300 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 30.023 11.434 -3.279 1.00 3.55 H new ATOM 2163 N GLY A 138 23.703 9.848 0.044 1.00 0.35 N ATOM 2164 CA GLY A 138 22.724 10.639 0.791 1.00 0.36 C ATOM 2165 C GLY A 138 21.671 11.336 -0.097 1.00 0.33 C ATOM 2166 O GLY A 138 21.019 12.279 0.360 1.00 0.37 O ATOM 0 H GLY A 138 23.357 8.926 -0.220 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.213 9.989 1.501 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.251 11.395 1.373 1.00 0.36 H new ATOM 2170 N LYS A 139 21.507 10.874 -1.370 1.00 0.29 N ATOM 2171 CA LYS A 139 20.523 11.469 -2.288 1.00 0.29 C ATOM 2172 C LYS A 139 19.579 10.428 -2.901 1.00 0.26 C ATOM 2173 O LYS A 139 19.982 9.308 -3.230 1.00 0.25 O ATOM 2174 CB LYS A 139 21.201 12.247 -3.419 1.00 0.33 C ATOM 2175 CG LYS A 139 22.145 13.381 -2.968 1.00 0.65 C ATOM 2176 CD LYS A 139 22.636 14.242 -4.152 1.00 0.67 C ATOM 2177 CE LYS A 139 23.616 15.338 -3.705 1.00 1.00 C ATOM 2178 NZ LYS A 139 24.884 14.763 -3.175 1.00 1.56 N ATOM 0 H LYS A 139 22.041 10.102 -1.768 1.00 0.29 H new ATOM 0 HA LYS A 139 19.934 12.152 -1.677 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.769 11.546 -4.030 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.428 12.673 -4.058 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.628 14.017 -2.249 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.004 12.952 -2.453 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.121 13.601 -4.888 1.00 0.67 H new ATOM 0 HD3 LYS A 139 21.779 14.702 -4.645 1.00 0.67 H new ATOM 0 HE2 LYS A 139 23.838 15.993 -4.548 1.00 1.00 H new ATOM 0 HE3 LYS A 139 23.147 15.954 -2.937 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 25.581 15.523 -3.043 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 24.700 14.299 -2.262 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 25.257 14.065 -3.849 1.00 1.56 H new ATOM 2192 N LEU A 140 18.329 10.857 -3.138 1.00 0.25 N ATOM 2193 CA LEU A 140 17.257 9.988 -3.651 1.00 0.24 C ATOM 2194 C LEU A 140 17.013 10.112 -5.174 1.00 0.26 C ATOM 2195 O LEU A 140 17.065 11.200 -5.754 1.00 0.34 O ATOM 2196 CB LEU A 140 15.966 10.347 -2.887 1.00 0.24 C ATOM 2197 CG LEU A 140 14.911 9.225 -2.669 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.476 9.139 -1.208 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.687 9.450 -3.535 1.00 0.25 C ATOM 0 H LEU A 140 18.032 11.820 -2.979 1.00 0.25 H new ATOM 0 HA LEU A 140 17.562 8.954 -3.490 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.253 10.730 -1.908 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.479 11.164 -3.419 1.00 0.24 H new ATOM 0 HG LEU A 140 15.388 8.287 -2.952 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.739 8.344 -1.094 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.342 8.923 -0.583 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.036 10.088 -0.903 1.00 0.22 H new ATOM 0 HD21 LEU A 140 12.967 8.650 -3.362 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.233 10.408 -3.282 1.00 0.25 H new ATOM 0 HD23 LEU A 140 13.980 9.453 -4.585 1.00 0.25 H new ATOM 2211 N SER A 141 16.733 8.955 -5.791 1.00 0.21 N ATOM 2212 CA SER A 141 16.441 8.854 -7.225 1.00 0.22 C ATOM 2213 C SER A 141 15.146 8.047 -7.448 1.00 0.19 C ATOM 2214 O SER A 141 15.096 6.838 -7.164 1.00 0.16 O ATOM 2215 CB SER A 141 17.604 8.174 -7.956 1.00 0.25 C ATOM 2216 OG SER A 141 18.637 9.094 -8.263 1.00 0.64 O ATOM 0 H SER A 141 16.703 8.059 -5.305 1.00 0.21 H new ATOM 0 HA SER A 141 16.309 9.860 -7.624 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.004 7.371 -7.337 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.239 7.716 -8.875 1.00 0.25 H new ATOM 0 HG SER A 141 19.363 8.627 -8.727 1.00 0.64 H new ATOM 2222 N VAL A 142 14.105 8.731 -7.953 1.00 0.21 N ATOM 2223 CA VAL A 142 12.792 8.104 -8.208 1.00 0.22 C ATOM 2224 C VAL A 142 12.387 8.240 -9.736 1.00 0.25 C ATOM 2225 O VAL A 142 11.895 9.284 -10.178 1.00 0.26 O ATOM 2226 CB VAL A 142 11.687 8.608 -7.112 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.200 10.089 -7.227 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.464 7.666 -7.031 1.00 0.41 C ATOM 0 H VAL A 142 14.146 9.721 -8.194 1.00 0.21 H new ATOM 0 HA VAL A 142 12.847 7.027 -8.049 1.00 0.22 H new ATOM 0 HB VAL A 142 12.260 8.568 -6.185 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.471 10.294 -6.443 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.051 10.761 -7.116 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.738 10.246 -8.202 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.761 8.045 -6.289 1.00 0.41 H new ATOM 0 HG22 VAL A 142 9.975 7.620 -8.004 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.792 6.668 -6.742 1.00 0.41 H new ATOM 2238 N GLN A 143 12.662 7.151 -10.524 1.00 0.31 N ATOM 2239 CA GLN A 143 12.358 7.032 -12.001 1.00 0.39 C ATOM 2240 C GLN A 143 13.202 7.988 -12.898 1.00 0.41 C ATOM 2241 O GLN A 143 14.250 7.597 -13.420 1.00 0.46 O ATOM 2242 CB GLN A 143 10.835 7.205 -12.286 1.00 0.44 C ATOM 2243 CG GLN A 143 9.932 6.155 -11.628 1.00 0.65 C ATOM 2244 CD GLN A 143 10.011 4.793 -12.299 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.263 4.502 -13.232 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.920 3.949 -11.820 1.00 1.12 N ATOM 0 H GLN A 143 13.109 6.314 -10.149 1.00 0.31 H new ATOM 0 HA GLN A 143 12.654 6.020 -12.276 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.526 8.193 -11.945 1.00 0.44 H new ATOM 0 HB3 GLN A 143 10.676 7.175 -13.364 1.00 0.44 H new ATOM 0 HG2 GLN A 143 10.209 6.053 -10.579 1.00 0.65 H new ATOM 0 HG3 GLN A 143 8.900 6.506 -11.652 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.520 4.231 -11.045 1.00 1.12 H new ATOM 0 HE22 GLN A 143 11.017 3.019 -12.228 1.00 1.12 H new ATOM 2255 N GLY A 144 12.716 9.234 -13.053 1.00 0.40 N ATOM 2256 CA GLY A 144 13.414 10.265 -13.824 1.00 0.45 C ATOM 2257 C GLY A 144 13.533 11.604 -13.069 1.00 0.42 C ATOM 2258 O GLY A 144 13.578 12.667 -13.696 1.00 0.49 O ATOM 0 H GLY A 144 11.834 9.547 -12.648 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.412 9.908 -14.078 1.00 0.45 H new ATOM 0 HA3 GLY A 144 12.885 10.429 -14.763 1.00 0.45 H new ATOM 2262 N GLU A 145 13.584 11.537 -11.716 1.00 0.33 N ATOM 2263 CA GLU A 145 13.700 12.718 -10.849 1.00 0.32 C ATOM 2264 C GLU A 145 14.784 12.500 -9.776 1.00 0.27 C ATOM 2265 O GLU A 145 14.741 11.524 -9.019 1.00 0.36 O ATOM 2266 CB GLU A 145 12.335 13.008 -10.176 1.00 0.37 C ATOM 2267 CG GLU A 145 12.184 14.416 -9.563 1.00 0.80 C ATOM 2268 CD GLU A 145 11.941 15.494 -10.608 1.00 1.16 C ATOM 2269 OE1 GLU A 145 12.931 16.049 -11.130 1.00 1.82 O ATOM 2270 OE2 GLU A 145 10.762 15.781 -10.902 1.00 1.53 O ATOM 0 H GLU A 145 13.545 10.657 -11.202 1.00 0.33 H new ATOM 0 HA GLU A 145 13.989 13.573 -11.459 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.547 12.866 -10.916 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.172 12.269 -9.391 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.356 14.411 -8.854 1.00 0.80 H new ATOM 0 HG3 GLU A 145 13.085 14.660 -9.000 1.00 0.80 H new ATOM 2277 N VAL A 146 15.745 13.434 -9.708 1.00 0.30 N ATOM 2278 CA VAL A 146 16.857 13.357 -8.737 1.00 0.27 C ATOM 2279 C VAL A 146 16.789 14.551 -7.697 1.00 0.28 C ATOM 2280 O VAL A 146 16.722 15.730 -8.070 1.00 0.32 O ATOM 2281 CB VAL A 146 18.282 13.161 -9.508 1.00 0.31 C ATOM 2282 CG1 VAL A 146 18.833 14.406 -10.279 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.394 12.588 -8.589 1.00 0.72 C ATOM 0 H VAL A 146 15.778 14.254 -10.313 1.00 0.30 H new ATOM 0 HA VAL A 146 16.755 12.464 -8.121 1.00 0.27 H new ATOM 0 HB VAL A 146 18.021 12.430 -10.273 1.00 0.31 H new ATOM 0 HG11 VAL A 146 19.783 14.152 -10.749 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.118 14.705 -11.045 1.00 1.02 H new ATOM 0 HG13 VAL A 146 18.982 15.230 -9.581 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.317 12.480 -9.159 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.561 13.267 -7.753 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.086 11.614 -8.209 1.00 0.72 H new ATOM 2293 N SER A 147 16.795 14.187 -6.405 1.00 0.27 N ATOM 2294 CA SER A 147 16.747 15.149 -5.292 1.00 0.29 C ATOM 2295 C SER A 147 17.573 14.620 -4.103 1.00 0.29 C ATOM 2296 O SER A 147 18.202 13.561 -4.191 1.00 0.30 O ATOM 2297 CB SER A 147 15.291 15.402 -4.855 1.00 0.31 C ATOM 2298 OG SER A 147 14.678 16.409 -5.647 1.00 0.56 O ATOM 0 H SER A 147 16.833 13.214 -6.102 1.00 0.27 H new ATOM 0 HA SER A 147 17.174 16.093 -5.631 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.720 14.477 -4.935 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.271 15.700 -3.807 1.00 0.31 H new ATOM 0 HG SER A 147 15.119 16.451 -6.521 1.00 0.56 H new ATOM 2304 N THR A 148 17.612 15.374 -2.994 1.00 0.30 N ATOM 2305 CA THR A 148 18.366 14.931 -1.801 1.00 0.31 C ATOM 2306 C THR A 148 17.445 14.364 -0.652 1.00 0.27 C ATOM 2307 O THR A 148 16.392 14.929 -0.333 1.00 0.32 O ATOM 2308 CB THR A 148 19.458 16.008 -1.316 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.257 15.489 -0.237 1.00 1.25 O ATOM 2310 CG2 THR A 148 18.902 17.391 -0.892 1.00 0.99 C ATOM 0 H THR A 148 17.143 16.274 -2.893 1.00 0.30 H new ATOM 0 HA THR A 148 18.953 14.068 -2.117 1.00 0.31 H new ATOM 0 HB THR A 148 20.056 16.179 -2.211 1.00 0.44 H new ATOM 0 HG1 THR A 148 20.914 16.163 0.037 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.726 18.035 -0.584 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.379 17.846 -1.733 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.210 17.265 -0.060 1.00 0.99 H new ATOM 2318 N PHE A 149 17.900 13.234 -0.051 1.00 0.26 N ATOM 2319 CA PHE A 149 17.203 12.534 1.072 1.00 0.24 C ATOM 2320 C PHE A 149 17.535 13.166 2.444 1.00 0.24 C ATOM 2321 O PHE A 149 18.711 13.285 2.814 1.00 0.29 O ATOM 2322 CB PHE A 149 17.613 11.030 1.085 1.00 0.23 C ATOM 2323 CG PHE A 149 17.036 10.203 2.252 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.664 9.936 2.338 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.860 9.720 3.277 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.141 9.222 3.402 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.333 9.000 4.336 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.975 8.755 4.399 1.00 0.25 C ATOM 0 H PHE A 149 18.767 12.776 -0.331 1.00 0.26 H new ATOM 0 HA PHE A 149 16.130 12.634 0.908 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.296 10.575 0.147 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.701 10.967 1.118 1.00 0.23 H new ATOM 0 HD1 PHE A 149 15.003 10.293 1.562 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.922 9.912 3.241 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.079 9.030 3.453 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.985 8.630 5.114 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.565 8.198 5.228 1.00 0.25 H new ATOM 2338 N THR A 150 16.487 13.551 3.192 1.00 0.25 N ATOM 2339 CA THR A 150 16.694 14.155 4.529 1.00 0.30 C ATOM 2340 C THR A 150 15.798 13.519 5.614 1.00 0.40 C ATOM 2341 O THR A 150 14.665 13.955 5.844 1.00 1.15 O ATOM 2342 CB THR A 150 16.489 15.724 4.555 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.519 16.156 3.577 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.807 16.499 4.331 1.00 1.18 C ATOM 0 H THR A 150 15.511 13.461 2.908 1.00 0.25 H new ATOM 0 HA THR A 150 17.739 13.943 4.755 1.00 0.30 H new ATOM 0 HB THR A 150 16.119 15.951 5.555 1.00 0.66 H new ATOM 0 HG1 THR A 150 15.418 17.130 3.624 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.608 17.570 4.359 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.518 16.242 5.116 1.00 1.18 H new ATOM 0 HG23 THR A 150 18.225 16.232 3.360 1.00 1.18 H new ATOM 2352 N GLY A 151 16.348 12.469 6.277 1.00 0.32 N ATOM 2353 CA GLY A 151 15.682 11.774 7.404 1.00 0.18 C ATOM 2354 C GLY A 151 14.583 10.738 7.099 1.00 0.20 C ATOM 2355 O GLY A 151 14.770 9.553 7.374 1.00 0.42 O ATOM 0 H GLY A 151 17.263 12.083 6.044 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.456 11.271 7.984 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.245 12.537 8.049 1.00 0.18 H new ATOM 2359 N LYS A 152 13.441 11.184 6.545 1.00 0.16 N ATOM 2360 CA LYS A 152 12.298 10.285 6.298 1.00 0.13 C ATOM 2361 C LYS A 152 11.710 10.389 4.878 1.00 0.13 C ATOM 2362 O LYS A 152 11.831 11.402 4.188 1.00 0.16 O ATOM 2363 CB LYS A 152 11.217 10.571 7.417 1.00 0.22 C ATOM 2364 CG LYS A 152 9.725 10.220 7.120 1.00 0.41 C ATOM 2365 CD LYS A 152 8.951 11.310 6.322 1.00 0.56 C ATOM 2366 CE LYS A 152 8.754 12.628 7.091 1.00 0.69 C ATOM 2367 NZ LYS A 152 7.636 13.433 6.522 1.00 1.10 N ATOM 0 H LYS A 152 13.285 12.152 6.262 1.00 0.16 H new ATOM 0 HA LYS A 152 12.647 9.254 6.354 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.514 10.024 8.312 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.265 11.632 7.661 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.689 9.285 6.561 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.211 10.046 8.065 1.00 0.41 H new ATOM 0 HD2 LYS A 152 9.488 11.518 5.397 1.00 0.56 H new ATOM 0 HD3 LYS A 152 7.974 10.915 6.042 1.00 0.56 H new ATOM 0 HE2 LYS A 152 8.550 12.411 8.140 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.675 13.210 7.059 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 7.532 14.314 7.064 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.843 13.661 5.528 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 6.753 12.887 6.576 1.00 1.10 H new ATOM 2381 N LEU A 153 11.040 9.279 4.501 1.00 0.12 N ATOM 2382 CA LEU A 153 10.303 9.123 3.222 1.00 0.13 C ATOM 2383 C LEU A 153 8.789 9.193 3.516 1.00 0.13 C ATOM 2384 O LEU A 153 8.317 8.536 4.452 1.00 0.18 O ATOM 2385 CB LEU A 153 10.659 7.770 2.567 1.00 0.15 C ATOM 2386 CG LEU A 153 11.082 7.777 1.066 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.936 6.560 0.734 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.875 7.804 0.129 1.00 0.67 C ATOM 0 H LEU A 153 10.994 8.446 5.088 1.00 0.12 H new ATOM 0 HA LEU A 153 10.582 9.920 2.532 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.470 7.323 3.141 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.796 7.112 2.669 1.00 0.15 H new ATOM 0 HG LEU A 153 11.662 8.687 0.914 1.00 0.34 H new ATOM 0 HD11 LEU A 153 12.217 6.589 -0.319 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.835 6.567 1.350 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.367 5.651 0.932 1.00 0.43 H new ATOM 0 HD21 LEU A 153 10.218 7.808 -0.906 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.259 6.922 0.304 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.286 8.701 0.320 1.00 0.67 H new ATOM 2400 N SER A 154 8.009 9.971 2.735 1.00 0.14 N ATOM 2401 CA SER A 154 6.578 10.114 3.066 1.00 0.16 C ATOM 2402 C SER A 154 5.587 9.651 1.974 1.00 0.19 C ATOM 2403 O SER A 154 5.804 9.821 0.785 1.00 0.36 O ATOM 2404 CB SER A 154 6.304 11.591 3.422 1.00 0.21 C ATOM 2405 OG SER A 154 5.162 11.751 4.258 1.00 0.24 O ATOM 0 H SER A 154 8.325 10.485 1.913 1.00 0.14 H new ATOM 0 HA SER A 154 6.397 9.442 3.905 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.178 12.008 3.923 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.160 12.161 2.504 1.00 0.21 H new ATOM 0 HG SER A 154 4.936 10.892 4.671 1.00 0.24 H new ATOM 2411 N VAL A 155 4.467 9.064 2.428 1.00 0.16 N ATOM 2412 CA VAL A 155 3.374 8.619 1.515 1.00 0.19 C ATOM 2413 C VAL A 155 2.115 9.459 1.834 1.00 0.25 C ATOM 2414 O VAL A 155 1.403 9.180 2.804 1.00 0.30 O ATOM 2415 CB VAL A 155 2.964 7.064 1.542 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.996 6.448 0.126 1.00 0.39 C ATOM 2417 CG2 VAL A 155 3.806 6.162 2.478 1.00 0.74 C ATOM 0 H VAL A 155 4.285 8.882 3.415 1.00 0.16 H new ATOM 0 HA VAL A 155 3.777 8.770 0.514 1.00 0.19 H new ATOM 0 HB VAL A 155 1.953 7.082 1.948 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.714 5.397 0.180 1.00 0.39 H new ATOM 0 HG12 VAL A 155 2.295 6.979 -0.518 1.00 0.39 H new ATOM 0 HG13 VAL A 155 4.002 6.533 -0.285 1.00 0.39 H new ATOM 0 HG21 VAL A 155 3.443 5.136 2.417 1.00 0.74 H new ATOM 0 HG22 VAL A 155 4.852 6.196 2.172 1.00 0.74 H new ATOM 0 HG23 VAL A 155 3.716 6.518 3.504 1.00 0.74 H new ATOM 2427 N GLU A 156 1.865 10.484 1.002 1.00 0.28 N ATOM 2428 CA GLU A 156 0.726 11.390 1.194 1.00 0.36 C ATOM 2429 C GLU A 156 -0.240 11.351 0.012 1.00 0.34 C ATOM 2430 O GLU A 156 0.154 11.567 -1.142 1.00 0.38 O ATOM 2431 CB GLU A 156 1.217 12.836 1.401 1.00 0.53 C ATOM 2432 CG GLU A 156 1.857 13.108 2.768 1.00 0.73 C ATOM 2433 CD GLU A 156 2.418 14.514 2.873 1.00 1.26 C ATOM 2434 OE1 GLU A 156 3.601 14.709 2.520 1.00 1.66 O ATOM 2435 OE2 GLU A 156 1.675 15.420 3.305 1.00 1.67 O ATOM 0 H GLU A 156 2.440 10.704 0.189 1.00 0.28 H new ATOM 0 HA GLU A 156 0.194 11.049 2.082 1.00 0.36 H new ATOM 0 HB2 GLU A 156 1.942 13.074 0.622 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.374 13.514 1.269 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.114 12.957 3.551 1.00 0.73 H new ATOM 0 HG3 GLU A 156 2.655 12.387 2.943 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.517 11.081 0.316 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.560 11.028 -0.718 1.00 0.40 C ATOM 2444 C PHE A 157 -3.626 12.111 -0.507 1.00 0.41 C ATOM 2445 O PHE A 157 -4.145 12.322 0.608 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.215 9.625 -0.859 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.058 8.687 0.336 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -1.919 7.888 0.466 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -4.048 8.584 1.310 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -1.777 7.022 1.535 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -3.906 7.712 2.375 1.00 1.60 C ATOM 2452 CZ PHE A 157 -2.773 6.935 2.488 1.00 1.80 C ATOM 0 H PHE A 157 -1.851 10.897 1.262 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.050 11.229 -1.660 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.279 9.761 -1.051 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.793 9.136 -1.737 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.139 7.948 -0.278 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -4.937 9.192 1.233 1.00 1.03 H new ATOM 0 HE1 PHE A 157 -0.888 6.415 1.624 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -4.685 7.640 3.120 1.00 1.60 H new ATOM 0 HZ PHE A 157 -2.664 6.258 3.322 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.925 12.793 -1.630 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.901 13.927 -1.680 1.00 0.46 C ATOM 2464 C VAL A 158 -6.187 13.485 -2.474 1.00 0.48 C ATOM 2465 O VAL A 158 -6.112 12.753 -3.473 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.246 15.291 -2.287 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -5.113 16.565 -2.059 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.847 15.618 -1.703 1.00 0.58 C ATOM 0 H VAL A 158 -3.503 12.582 -2.534 1.00 0.43 H new ATOM 0 HA VAL A 158 -5.188 14.171 -0.657 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.179 15.063 -3.351 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.610 17.430 -2.491 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -6.084 16.434 -2.536 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -5.253 16.723 -0.990 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.472 16.538 -2.151 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.924 15.746 -0.623 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.161 14.800 -1.923 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.360 13.977 -2.000 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.696 13.654 -2.578 1.00 0.56 C ATOM 2480 C LYS A 159 -9.154 14.597 -3.725 1.00 0.66 C ATOM 2481 O LYS A 159 -8.781 15.775 -3.781 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.774 13.617 -1.447 1.00 0.72 C ATOM 2483 CG LYS A 159 -10.115 14.990 -0.782 1.00 1.06 C ATOM 2484 CD LYS A 159 -11.253 15.752 -1.515 1.00 1.48 C ATOM 2485 CE LYS A 159 -11.478 17.171 -0.968 1.00 1.63 C ATOM 2486 NZ LYS A 159 -12.482 17.918 -1.774 1.00 2.18 N ATOM 0 H LYS A 159 -7.409 14.612 -1.203 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.587 12.671 -3.037 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.691 13.198 -1.860 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.433 12.934 -0.669 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -10.406 14.823 0.255 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.220 15.612 -0.766 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -11.017 15.812 -2.577 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -12.179 15.184 -1.426 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -11.813 17.113 0.068 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -10.534 17.715 -0.968 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -12.847 18.718 -1.219 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -12.034 18.274 -2.643 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -13.267 17.284 -2.024 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.987 14.038 -4.624 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.538 14.791 -5.765 1.00 0.93 C ATOM 2502 C GLY A 160 -12.011 15.247 -5.607 1.00 0.96 C ATOM 2503 O GLY A 160 -12.404 16.245 -6.217 1.00 1.02 O ATOM 0 H GLY A 160 -10.293 13.066 -4.581 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.918 15.672 -5.932 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.460 14.173 -6.659 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.821 14.519 -4.797 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.242 14.868 -4.577 1.00 1.02 C ATOM 2509 C TYR A 161 -14.631 14.867 -3.075 1.00 1.05 C ATOM 2510 O TYR A 161 -14.723 15.933 -2.461 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.161 13.907 -5.364 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.474 14.356 -6.799 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -14.639 14.004 -7.867 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -16.603 15.130 -7.087 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -14.921 14.410 -9.161 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -16.884 15.534 -8.383 1.00 2.26 C ATOM 2517 CZ TYR A 161 -16.046 15.176 -9.408 1.00 2.29 C ATOM 2518 OH TYR A 161 -16.320 15.575 -10.697 1.00 2.86 O ATOM 0 H TYR A 161 -12.513 13.690 -4.289 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.378 15.885 -4.944 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.692 12.924 -5.399 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.099 13.794 -4.820 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -13.760 13.406 -7.678 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -17.267 15.418 -6.286 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -14.266 14.130 -9.973 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -17.762 16.130 -8.585 1.00 2.26 H new ATOM 0 HH TYR A 161 -17.144 16.105 -10.707 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.859 13.667 -2.498 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.252 13.514 -1.075 1.00 1.17 C ATOM 2530 C TYR A 162 -14.464 12.368 -0.387 1.00 1.10 C ATOM 2531 O TYR A 162 -13.910 12.555 0.698 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.770 13.244 -0.985 1.00 1.54 C ATOM 2533 CG TYR A 162 -17.430 13.693 0.330 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -17.939 14.989 0.477 1.00 2.57 C ATOM 2535 CD2 TYR A 162 -17.546 12.823 1.422 1.00 2.00 C ATOM 2536 CE1 TYR A 162 -18.537 15.395 1.661 1.00 3.18 C ATOM 2537 CE2 TYR A 162 -18.144 13.233 2.603 1.00 2.64 C ATOM 2538 CZ TYR A 162 -18.635 14.514 2.714 1.00 3.16 C ATOM 2539 OH TYR A 162 -19.229 14.919 3.887 1.00 3.91 O ATOM 0 H TYR A 162 -14.777 12.782 -2.999 1.00 1.09 H new ATOM 0 HA TYR A 162 -15.012 14.440 -0.553 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -17.264 13.750 -1.814 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.943 12.176 -1.115 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -17.865 15.685 -0.346 1.00 2.57 H new ATOM 0 HD2 TYR A 162 -17.163 11.816 1.342 1.00 2.00 H new ATOM 0 HE1 TYR A 162 -18.924 16.399 1.756 1.00 3.18 H new ATOM 0 HE2 TYR A 162 -18.225 12.549 3.435 1.00 2.64 H new ATOM 0 HH TYR A 162 -19.220 14.180 4.530 1.00 3.91 H new ATOM 2549 N ASP A 163 -14.434 11.185 -1.044 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.717 9.972 -0.567 1.00 0.99 C ATOM 2551 C ASP A 163 -12.312 9.875 -1.172 1.00 1.06 C ATOM 2552 O ASP A 163 -12.102 10.099 -2.367 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.511 8.708 -0.943 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.431 8.223 0.171 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -16.549 8.768 0.299 1.00 1.34 O ATOM 2556 OD2 ASP A 163 -15.033 7.298 0.911 1.00 1.27 O ATOM 0 H ASP A 163 -14.913 11.041 -1.933 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.625 10.050 0.516 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -15.106 8.912 -1.833 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -13.813 7.912 -1.201 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.363 9.546 -0.291 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.938 9.336 -0.629 1.00 0.83 C ATOM 2563 C ASN A 164 -9.705 7.806 -0.883 1.00 1.01 C ATOM 2564 O ASN A 164 -10.696 7.068 -1.025 1.00 1.68 O ATOM 2565 CB ASN A 164 -9.120 9.847 0.580 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.096 10.931 0.244 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.578 10.995 -0.868 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.804 11.784 1.222 1.00 0.82 N ATOM 0 H ASN A 164 -11.561 9.414 0.701 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.635 9.870 -1.529 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.809 10.237 1.329 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.600 9.003 1.033 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -7.125 12.529 1.063 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -8.259 11.693 2.130 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.435 7.261 -1.018 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.222 5.779 -1.160 1.00 1.06 C ATOM 2577 C PRO A 165 -8.618 5.027 0.135 1.00 0.93 C ATOM 2578 O PRO A 165 -7.870 5.010 1.120 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.713 5.653 -1.429 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.310 7.004 -1.947 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.152 7.985 -1.162 1.00 1.41 C ATOM 0 HA PRO A 165 -8.833 5.342 -1.950 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.168 5.397 -0.520 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -6.504 4.870 -2.158 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.246 7.185 -1.794 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.498 7.089 -3.017 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -6.707 8.219 -0.195 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.276 8.929 -1.693 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.851 4.441 0.095 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.518 3.748 1.238 1.00 0.47 C ATOM 2591 C LYS A 166 -9.714 2.558 1.868 1.00 0.42 C ATOM 2592 O LYS A 166 -9.557 2.514 3.091 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.921 3.283 0.797 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.939 3.101 1.956 1.00 1.30 C ATOM 2595 CD LYS A 166 -14.336 2.613 1.478 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.415 1.088 1.289 1.00 2.33 C ATOM 2597 NZ LYS A 166 -15.723 0.678 0.713 1.00 3.00 N ATOM 0 H LYS A 166 -10.420 4.438 -0.751 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.579 4.484 2.040 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -12.323 4.008 0.089 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -11.824 2.337 0.265 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.538 2.385 2.673 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -13.053 4.049 2.482 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -15.089 2.922 2.203 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -14.581 3.102 0.535 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -13.608 0.759 0.634 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -14.268 0.593 2.249 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -15.926 -0.307 0.979 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -16.473 1.297 1.080 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -15.686 0.756 -0.323 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.211 1.601 1.033 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.380 0.477 1.560 1.00 0.38 C ATOM 2613 C VAL A 167 -6.909 0.662 1.079 1.00 0.34 C ATOM 2614 O VAL A 167 -6.633 0.773 -0.130 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.942 -0.989 1.171 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -8.208 -2.148 1.904 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.456 -1.184 1.459 1.00 0.58 C ATOM 0 H VAL A 167 -9.360 1.584 0.024 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.428 0.520 2.648 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.756 -1.032 0.098 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.636 -3.102 1.596 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -7.148 -2.126 1.649 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.325 -2.029 2.981 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.754 -2.192 1.171 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.646 -1.040 2.523 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -11.032 -0.457 0.886 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.995 0.545 2.072 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.551 0.718 1.868 1.00 0.35 C ATOM 2629 C CYS A 168 -3.741 -0.364 2.614 1.00 0.36 C ATOM 2630 O CYS A 168 -3.849 -0.516 3.834 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.160 2.099 2.374 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.748 2.844 1.524 1.00 0.87 S ATOM 0 H CYS A 168 -6.247 0.327 3.036 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.327 0.619 0.806 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -5.018 2.764 2.275 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.931 2.030 3.438 1.00 0.37 H new ATOM 0 HG CYS A 168 -3.035 3.007 0.267 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.891 -1.079 1.846 1.00 0.29 N ATOM 2639 CA ALA A 169 -2.060 -2.219 2.327 1.00 0.29 C ATOM 2640 C ALA A 169 -0.515 -2.057 2.147 1.00 0.25 C ATOM 2641 O ALA A 169 0.146 -2.856 1.439 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.582 -3.588 1.854 1.00 0.34 C ATOM 0 H ALA A 169 -2.756 -0.881 0.854 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.193 -2.189 3.408 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.934 -4.377 2.237 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.596 -3.739 2.225 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.586 -3.619 0.764 1.00 0.34 H new ATOM 2648 N LEU A 170 0.024 -0.887 2.599 1.00 0.22 N ATOM 2649 CA LEU A 170 1.489 -0.517 2.569 1.00 0.21 C ATOM 2650 C LEU A 170 2.491 -1.640 2.980 1.00 0.19 C ATOM 2651 O LEU A 170 2.283 -2.357 3.964 1.00 0.34 O ATOM 2652 CB LEU A 170 1.718 0.658 3.538 1.00 0.31 C ATOM 2653 CG LEU A 170 2.156 2.045 2.954 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.452 1.968 2.123 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.045 2.690 2.114 1.00 0.70 C ATOM 0 H LEU A 170 -0.554 -0.152 3.006 1.00 0.22 H new ATOM 0 HA LEU A 170 1.693 -0.286 1.524 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.793 0.812 4.095 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.476 0.349 4.258 1.00 0.31 H new ATOM 0 HG LEU A 170 2.354 2.672 3.823 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.702 2.960 1.747 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.265 1.602 2.750 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.306 1.288 1.284 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.391 3.649 1.729 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.791 2.034 1.281 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.163 2.845 2.735 1.00 0.70 H new ATOM 2667 N PHE A 171 3.558 -1.770 2.192 1.00 0.16 N ATOM 2668 CA PHE A 171 4.589 -2.787 2.411 1.00 0.14 C ATOM 2669 C PHE A 171 5.943 -2.323 1.828 1.00 0.14 C ATOM 2670 O PHE A 171 6.156 -2.414 0.614 1.00 0.19 O ATOM 2671 CB PHE A 171 4.111 -4.127 1.751 1.00 0.17 C ATOM 2672 CG PHE A 171 5.149 -5.250 1.610 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.121 -5.470 2.587 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.150 -6.083 0.486 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.054 -6.470 2.445 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.088 -7.090 0.351 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.041 -7.279 1.332 1.00 0.17 C ATOM 0 H PHE A 171 3.733 -1.174 1.383 1.00 0.16 H new ATOM 0 HA PHE A 171 4.738 -2.945 3.479 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.275 -4.511 2.335 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.727 -3.896 0.758 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.141 -4.845 3.468 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.409 -5.938 -0.286 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.801 -6.621 3.211 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.075 -7.728 -0.521 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.777 -8.062 1.226 1.00 0.17 H new ATOM 2687 N ILE A 172 6.863 -1.824 2.690 1.00 0.10 N ATOM 2688 CA ILE A 172 8.204 -1.445 2.203 1.00 0.10 C ATOM 2689 C ILE A 172 9.307 -2.447 2.718 1.00 0.08 C ATOM 2690 O ILE A 172 9.524 -2.642 3.954 1.00 0.08 O ATOM 2691 CB ILE A 172 8.631 0.100 2.360 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.941 0.367 1.514 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.798 0.577 3.841 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.090 1.761 0.896 1.00 0.31 C ATOM 0 H ILE A 172 6.707 -1.680 3.688 1.00 0.10 H new ATOM 0 HA ILE A 172 8.123 -1.541 1.120 1.00 0.10 H new ATOM 0 HB ILE A 172 7.806 0.698 1.973 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.803 0.186 2.156 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.982 -0.368 0.710 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.086 1.628 3.854 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.854 0.453 4.372 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.570 -0.017 4.330 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.028 1.815 0.343 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.257 1.949 0.218 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.091 2.511 1.687 1.00 0.31 H new ATOM 2706 N MET A 173 10.006 -3.030 1.737 1.00 0.09 N ATOM 2707 CA MET A 173 11.065 -4.015 1.992 1.00 0.11 C ATOM 2708 C MET A 173 12.436 -3.558 1.436 1.00 0.13 C ATOM 2709 O MET A 173 12.515 -2.787 0.471 1.00 0.21 O ATOM 2710 CB MET A 173 10.649 -5.406 1.454 1.00 0.15 C ATOM 2711 CG MET A 173 10.067 -5.405 0.020 1.00 0.17 C ATOM 2712 SD MET A 173 11.332 -5.465 -1.270 1.00 0.44 S ATOM 2713 CE MET A 173 12.145 -7.024 -0.914 1.00 0.26 C ATOM 0 H MET A 173 9.855 -2.834 0.748 1.00 0.09 H new ATOM 0 HA MET A 173 11.193 -4.098 3.071 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.519 -6.063 1.477 1.00 0.15 H new ATOM 0 HB3 MET A 173 9.909 -5.834 2.130 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.402 -6.261 -0.094 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.461 -4.509 -0.117 1.00 0.17 H new ATOM 0 HE1 MET A 173 12.295 -7.576 -1.842 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.110 -6.832 -0.445 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.524 -7.612 -0.238 1.00 0.26 H new ATOM 2723 N LYS A 174 13.517 -4.073 2.051 1.00 0.12 N ATOM 2724 CA LYS A 174 14.875 -3.674 1.740 1.00 0.19 C ATOM 2725 C LYS A 174 15.763 -4.664 0.924 1.00 0.16 C ATOM 2726 O LYS A 174 15.639 -5.889 0.972 1.00 0.17 O ATOM 2727 CB LYS A 174 15.498 -3.431 3.126 1.00 0.38 C ATOM 2728 CG LYS A 174 16.974 -3.051 3.156 1.00 0.54 C ATOM 2729 CD LYS A 174 17.541 -3.085 4.587 1.00 0.57 C ATOM 2730 CE LYS A 174 18.863 -2.346 4.668 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.927 -3.023 3.878 1.00 1.26 N ATOM 0 H LYS A 174 13.457 -4.782 2.781 1.00 0.12 H new ATOM 0 HA LYS A 174 14.833 -2.818 1.066 1.00 0.19 H new ATOM 0 HB2 LYS A 174 14.933 -2.640 3.619 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.367 -4.335 3.721 1.00 0.38 H new ATOM 0 HG2 LYS A 174 17.539 -3.736 2.524 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.101 -2.053 2.738 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.826 -2.634 5.276 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.679 -4.119 4.902 1.00 0.57 H new ATOM 0 HE2 LYS A 174 18.732 -1.327 4.303 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.175 -2.273 5.710 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.819 -2.496 3.973 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 20.058 -3.992 4.231 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.649 -3.054 2.876 1.00 1.26 H new ATOM 2745 N GLY A 175 16.657 -4.004 0.181 1.00 0.14 N ATOM 2746 CA GLY A 175 17.752 -4.596 -0.600 1.00 0.15 C ATOM 2747 C GLY A 175 17.633 -4.695 -2.130 1.00 0.13 C ATOM 2748 O GLY A 175 18.625 -4.359 -2.780 1.00 0.17 O ATOM 0 H GLY A 175 16.637 -2.987 0.103 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.654 -4.025 -0.380 1.00 0.15 H new ATOM 0 HA3 GLY A 175 17.914 -5.605 -0.220 1.00 0.15 H new ATOM 2752 N THR A 176 16.451 -5.027 -2.728 1.00 0.11 N ATOM 2753 CA THR A 176 16.297 -5.123 -4.230 1.00 0.10 C ATOM 2754 C THR A 176 14.858 -5.509 -4.657 1.00 0.10 C ATOM 2755 O THR A 176 14.056 -6.011 -3.858 1.00 0.13 O ATOM 2756 CB THR A 176 17.250 -6.159 -4.970 1.00 0.12 C ATOM 2757 OG1 THR A 176 17.755 -7.187 -4.093 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.431 -5.492 -5.715 1.00 0.15 C ATOM 0 H THR A 176 15.597 -5.232 -2.210 1.00 0.11 H new ATOM 0 HA THR A 176 16.571 -4.113 -4.534 1.00 0.10 H new ATOM 0 HB THR A 176 16.604 -6.624 -5.714 1.00 0.12 H new ATOM 0 HG1 THR A 176 17.190 -7.985 -4.165 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.038 -6.259 -6.196 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.045 -4.808 -6.471 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.043 -4.938 -5.004 1.00 0.15 H new ATOM 2766 N ALA A 177 14.560 -5.285 -5.974 1.00 0.10 N ATOM 2767 CA ALA A 177 13.256 -5.630 -6.624 1.00 0.11 C ATOM 2768 C ALA A 177 13.151 -7.138 -7.081 1.00 0.15 C ATOM 2769 O ALA A 177 12.051 -7.645 -7.340 1.00 0.17 O ATOM 2770 CB ALA A 177 13.019 -4.678 -7.821 1.00 0.15 C ATOM 0 H ALA A 177 15.224 -4.856 -6.619 1.00 0.10 H new ATOM 0 HA ALA A 177 12.477 -5.499 -5.872 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.071 -4.924 -8.299 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.990 -3.648 -7.466 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.829 -4.791 -8.542 1.00 0.15 H new ATOM 2776 N ASP A 178 14.313 -7.853 -7.158 1.00 0.19 N ATOM 2777 CA ASP A 178 14.377 -9.296 -7.539 1.00 0.24 C ATOM 2778 C ASP A 178 14.228 -10.292 -6.333 1.00 0.26 C ATOM 2779 O ASP A 178 14.340 -11.509 -6.518 1.00 0.31 O ATOM 2780 CB ASP A 178 15.700 -9.579 -8.267 1.00 0.31 C ATOM 2781 CG ASP A 178 15.590 -9.464 -9.785 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.268 -10.480 -10.436 1.00 0.55 O ATOM 2783 OD2 ASP A 178 15.825 -8.357 -10.316 1.00 0.51 O ATOM 0 H ASP A 178 15.227 -7.446 -6.958 1.00 0.19 H new ATOM 0 HA ASP A 178 13.520 -9.471 -8.189 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.459 -8.882 -7.911 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.041 -10.582 -8.009 1.00 0.31 H new ATOM 2788 N ASP A 179 13.964 -9.762 -5.113 1.00 0.24 N ATOM 2789 CA ASP A 179 13.801 -10.579 -3.878 1.00 0.31 C ATOM 2790 C ASP A 179 12.319 -10.763 -3.421 1.00 0.32 C ATOM 2791 O ASP A 179 12.051 -11.584 -2.541 1.00 0.44 O ATOM 2792 CB ASP A 179 14.611 -9.954 -2.728 1.00 0.37 C ATOM 2793 CG ASP A 179 16.007 -10.552 -2.584 1.00 0.48 C ATOM 2794 OD1 ASP A 179 16.940 -10.054 -3.250 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.162 -11.518 -1.806 1.00 0.60 O ATOM 0 H ASP A 179 13.858 -8.760 -4.955 1.00 0.24 H new ATOM 0 HA ASP A 179 14.173 -11.573 -4.128 1.00 0.31 H new ATOM 0 HB2 ASP A 179 14.698 -8.880 -2.895 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.067 -10.089 -1.793 1.00 0.37 H new ATOM 2800 N VAL A 180 11.370 -9.985 -4.014 1.00 0.24 N ATOM 2801 CA VAL A 180 9.892 -10.064 -3.699 1.00 0.29 C ATOM 2802 C VAL A 180 9.153 -11.228 -4.477 1.00 0.50 C ATOM 2803 O VAL A 180 8.842 -11.048 -5.660 1.00 0.95 O ATOM 2804 CB VAL A 180 9.053 -8.712 -3.966 1.00 0.27 C ATOM 2805 CG1 VAL A 180 8.638 -8.042 -2.646 1.00 0.48 C ATOM 2806 CG2 VAL A 180 9.742 -7.638 -4.860 1.00 0.50 C ATOM 0 H VAL A 180 11.594 -9.285 -4.722 1.00 0.24 H new ATOM 0 HA VAL A 180 9.905 -10.256 -2.626 1.00 0.29 H new ATOM 0 HB VAL A 180 8.190 -9.070 -4.527 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.074 -7.134 -2.860 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.016 -8.727 -2.070 1.00 0.48 H new ATOM 0 HG13 VAL A 180 9.529 -7.789 -2.071 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.083 -6.777 -4.967 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.677 -7.324 -4.396 1.00 0.50 H new ATOM 0 HG23 VAL A 180 9.949 -8.061 -5.843 1.00 0.50 H new ATOM 2816 N PRO A 181 8.871 -12.447 -3.847 1.00 0.59 N ATOM 2817 CA PRO A 181 8.128 -13.568 -4.524 1.00 0.75 C ATOM 2818 C PRO A 181 6.593 -13.385 -4.558 1.00 1.31 C ATOM 2819 O PRO A 181 5.971 -13.081 -3.536 1.00 1.80 O ATOM 2820 CB PRO A 181 8.457 -14.813 -3.663 1.00 1.20 C ATOM 2821 CG PRO A 181 9.539 -14.370 -2.718 1.00 1.57 C ATOM 2822 CD PRO A 181 9.305 -12.890 -2.500 1.00 1.05 C ATOM 0 HA PRO A 181 8.433 -13.631 -5.569 1.00 0.75 H new ATOM 0 HB2 PRO A 181 7.578 -15.158 -3.119 1.00 1.20 H new ATOM 0 HB3 PRO A 181 8.794 -15.643 -4.285 1.00 1.20 H new ATOM 0 HG2 PRO A 181 9.487 -14.918 -1.777 1.00 1.57 H new ATOM 0 HG3 PRO A 181 10.527 -14.553 -3.140 1.00 1.57 H new ATOM 0 HD2 PRO A 181 8.542 -12.704 -1.744 1.00 1.05 H new ATOM 0 HD3 PRO A 181 10.210 -12.377 -2.173 1.00 1.05 H new ATOM 2830 N MET A 182 6.007 -13.575 -5.753 1.00 1.54 N ATOM 2831 CA MET A 182 4.555 -13.439 -5.957 1.00 2.26 C ATOM 2832 C MET A 182 4.047 -14.444 -7.010 1.00 2.40 C ATOM 2833 O MET A 182 4.442 -14.391 -8.182 1.00 2.49 O ATOM 2834 CB MET A 182 4.213 -11.993 -6.391 1.00 2.82 C ATOM 2835 CG MET A 182 2.757 -11.565 -6.143 1.00 3.46 C ATOM 2836 SD MET A 182 2.411 -9.906 -6.761 1.00 4.01 S ATOM 2837 CE MET A 182 0.687 -9.714 -6.305 1.00 4.96 C ATOM 0 H MET A 182 6.522 -13.825 -6.597 1.00 1.54 H new ATOM 0 HA MET A 182 4.056 -13.656 -5.013 1.00 2.26 H new ATOM 0 HB2 MET A 182 4.873 -11.306 -5.862 1.00 2.82 H new ATOM 0 HB3 MET A 182 4.430 -11.888 -7.454 1.00 2.82 H new ATOM 0 HG2 MET A 182 2.086 -12.276 -6.624 1.00 3.46 H new ATOM 0 HG3 MET A 182 2.548 -11.602 -5.074 1.00 3.46 H new ATOM 0 HE1 MET A 182 0.333 -8.733 -6.624 1.00 4.96 H new ATOM 0 HE2 MET A 182 0.094 -10.489 -6.790 1.00 4.96 H new ATOM 0 HE3 MET A 182 0.585 -9.803 -5.223 1.00 4.96 H new ATOM 2847 N LEU A 183 3.156 -15.351 -6.573 1.00 2.65 N ATOM 2848 CA LEU A 183 2.572 -16.382 -7.455 1.00 2.86 C ATOM 2849 C LEU A 183 1.035 -16.460 -7.342 1.00 3.61 C ATOM 2850 O LEU A 183 0.420 -15.967 -6.386 1.00 4.00 O ATOM 2851 CB LEU A 183 3.172 -17.777 -7.137 1.00 2.51 C ATOM 2852 CG LEU A 183 4.659 -17.999 -7.541 1.00 2.24 C ATOM 2853 CD1 LEU A 183 5.350 -18.974 -6.590 1.00 2.43 C ATOM 2854 CD2 LEU A 183 4.783 -18.514 -8.978 1.00 2.58 C ATOM 0 H LEU A 183 2.822 -15.392 -5.610 1.00 2.65 H new ATOM 0 HA LEU A 183 2.821 -16.089 -8.475 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.079 -17.953 -6.065 1.00 2.51 H new ATOM 0 HB3 LEU A 183 2.566 -18.532 -7.637 1.00 2.51 H new ATOM 0 HG LEU A 183 5.151 -17.029 -7.476 1.00 2.24 H new ATOM 0 HD11 LEU A 183 6.387 -19.109 -6.898 1.00 2.43 H new ATOM 0 HD12 LEU A 183 5.321 -18.575 -5.576 1.00 2.43 H new ATOM 0 HD13 LEU A 183 4.836 -19.935 -6.617 1.00 2.43 H new ATOM 0 HD21 LEU A 183 5.835 -18.657 -9.224 1.00 2.58 H new ATOM 0 HD22 LEU A 183 4.256 -19.464 -9.071 1.00 2.58 H new ATOM 0 HD23 LEU A 183 4.346 -17.788 -9.664 1.00 2.58 H new ATOM 2866 N GLN A 184 0.433 -17.114 -8.348 1.00 3.87 N ATOM 2867 CA GLN A 184 -1.027 -17.329 -8.433 1.00 4.58 C ATOM 2868 C GLN A 184 -1.392 -18.802 -8.079 1.00 4.68 C ATOM 2869 O GLN A 184 -0.524 -19.683 -8.183 1.00 4.25 O ATOM 2870 CB GLN A 184 -1.490 -17.001 -9.870 1.00 4.95 C ATOM 2871 CG GLN A 184 -1.732 -15.509 -10.141 1.00 5.32 C ATOM 2872 CD GLN A 184 -1.953 -15.205 -11.614 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -2.550 -16.144 -12.339 1.00 6.06 O flip ATOM 2874 NE2 GLN A 184 -1.595 -14.129 -12.094 1.00 6.27 N flip ATOM 0 H GLN A 184 0.947 -17.513 -9.134 1.00 3.87 H new ATOM 0 HA GLN A 184 -1.530 -16.678 -7.718 1.00 4.58 H new ATOM 0 HB2 GLN A 184 -0.740 -17.367 -10.571 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -2.411 -17.548 -10.074 1.00 4.95 H new ATOM 0 HG2 GLN A 184 -2.601 -15.178 -9.572 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -0.878 -14.936 -9.781 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -1.139 -13.433 -11.503 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -1.754 -13.933 -13.082 1.00 6.27 H new ATOM 2883 N PRO A 185 -2.677 -19.125 -7.652 1.00 5.36 N ATOM 2884 CA PRO A 185 -3.079 -20.530 -7.288 1.00 5.62 C ATOM 2885 C PRO A 185 -3.111 -21.525 -8.465 1.00 5.52 C ATOM 2886 O PRO A 185 -3.824 -21.324 -9.454 1.00 5.77 O ATOM 2887 CB PRO A 185 -4.504 -20.375 -6.728 1.00 6.42 C ATOM 2888 CG PRO A 185 -5.012 -19.095 -7.339 1.00 6.59 C ATOM 2889 CD PRO A 185 -3.804 -18.178 -7.420 1.00 5.99 C ATOM 0 HA PRO A 185 -2.347 -20.948 -6.597 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -5.132 -21.222 -7.002 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -4.499 -20.321 -5.639 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -5.437 -19.273 -8.327 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -5.800 -18.654 -6.728 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -3.899 -17.457 -8.232 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -3.669 -17.607 -6.501 1.00 5.99 H new ATOM 2897 N HIS A 186 -2.315 -22.589 -8.323 1.00 5.25 N ATOM 2898 CA HIS A 186 -2.213 -23.622 -9.347 1.00 5.19 C ATOM 2899 C HIS A 186 -2.246 -25.055 -8.710 1.00 5.51 C ATOM 2900 O HIS A 186 -1.572 -25.292 -7.699 1.00 5.51 O ATOM 2901 CB HIS A 186 -0.919 -23.390 -10.175 1.00 4.55 C ATOM 2902 CG HIS A 186 -0.934 -24.028 -11.544 1.00 4.63 C ATOM 2903 ND1 HIS A 186 -0.918 -25.393 -11.732 1.00 4.77 N ATOM 2904 CD2 HIS A 186 -1.034 -23.488 -12.786 1.00 4.82 C ATOM 2905 CE1 HIS A 186 -1.016 -25.668 -13.014 1.00 4.89 C ATOM 2906 NE2 HIS A 186 -1.085 -24.530 -13.680 1.00 4.96 N ATOM 0 H HIS A 186 -1.731 -22.754 -7.503 1.00 5.25 H new ATOM 0 HA HIS A 186 -3.073 -23.557 -10.014 1.00 5.19 H new ATOM 0 HB2 HIS A 186 -0.762 -22.317 -10.289 1.00 4.55 H new ATOM 0 HB3 HIS A 186 -0.069 -23.779 -9.615 1.00 4.55 H new ATOM 0 HD2 HIS A 186 -1.067 -22.436 -13.026 1.00 4.82 H new ATOM 0 HE1 HIS A 186 -1.037 -26.657 -13.448 1.00 4.89 H new ATOM 0 HE2 HIS A 186 -1.163 -24.439 -14.693 1.00 4.96 H new ATOM 2915 N PRO A 187 -3.019 -26.051 -9.302 1.00 5.90 N ATOM 2916 CA PRO A 187 -3.125 -27.463 -8.765 1.00 6.31 C ATOM 2917 C PRO A 187 -1.929 -28.411 -9.055 1.00 6.06 C ATOM 2918 O PRO A 187 -1.765 -29.431 -8.380 1.00 5.96 O ATOM 2919 CB PRO A 187 -4.351 -28.001 -9.526 1.00 6.77 C ATOM 2920 CG PRO A 187 -4.259 -27.310 -10.852 1.00 6.43 C ATOM 2921 CD PRO A 187 -3.922 -25.882 -10.484 1.00 6.09 C ATOM 0 HA PRO A 187 -3.171 -27.434 -7.676 1.00 6.31 H new ATOM 0 HB2 PRO A 187 -4.315 -29.085 -9.633 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -5.282 -27.762 -9.011 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -3.489 -27.754 -11.483 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -5.198 -27.372 -11.403 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -3.425 -25.360 -11.302 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -4.814 -25.307 -10.234 1.00 6.09 H new ATOM 2929 N GLY A 188 -1.114 -28.054 -10.060 1.00 6.19 N ATOM 2930 CA GLY A 188 0.024 -28.881 -10.469 1.00 6.09 C ATOM 2931 C GLY A 188 1.403 -28.312 -10.111 1.00 6.57 C ATOM 2932 O GLY A 188 2.086 -28.858 -9.239 1.00 7.02 O ATOM 0 H GLY A 188 -1.225 -27.197 -10.602 1.00 6.19 H new ATOM 0 HA2 GLY A 188 -0.077 -29.864 -10.009 1.00 6.09 H new ATOM 0 HA3 GLY A 188 -0.022 -29.028 -11.548 1.00 6.09 H new ATOM 2936 N LEU A 189 1.807 -27.216 -10.783 1.00 6.77 N ATOM 2937 CA LEU A 189 3.117 -26.577 -10.540 1.00 7.51 C ATOM 2938 C LEU A 189 2.973 -25.131 -10.017 1.00 7.90 C ATOM 2939 O LEU A 189 2.209 -24.325 -10.562 1.00 7.97 O ATOM 2940 CB LEU A 189 3.956 -26.588 -11.840 1.00 7.96 C ATOM 2941 CG LEU A 189 5.498 -26.438 -11.678 1.00 8.35 C ATOM 2942 CD1 LEU A 189 6.187 -27.793 -11.488 1.00 8.85 C ATOM 2943 CD2 LEU A 189 6.112 -25.710 -12.875 1.00 8.99 C ATOM 0 H LEU A 189 1.245 -26.754 -11.498 1.00 6.77 H new ATOM 0 HA LEU A 189 3.625 -27.154 -9.767 1.00 7.51 H new ATOM 0 HB2 LEU A 189 3.758 -27.523 -12.365 1.00 7.96 H new ATOM 0 HB3 LEU A 189 3.601 -25.781 -12.481 1.00 7.96 H new ATOM 0 HG LEU A 189 5.662 -25.843 -10.779 1.00 8.35 H new ATOM 0 HD11 LEU A 189 7.261 -27.643 -11.379 1.00 8.85 H new ATOM 0 HD12 LEU A 189 5.796 -28.278 -10.594 1.00 8.85 H new ATOM 0 HD13 LEU A 189 5.995 -28.424 -12.356 1.00 8.85 H new ATOM 0 HD21 LEU A 189 7.189 -25.620 -12.733 1.00 8.99 H new ATOM 0 HD22 LEU A 189 5.912 -26.274 -13.786 1.00 8.99 H new ATOM 0 HD23 LEU A 189 5.673 -24.716 -12.960 1.00 8.99 H new ATOM 2955 N GLU A 190 3.748 -24.819 -8.961 1.00 8.45 N ATOM 2956 CA GLU A 190 3.736 -23.488 -8.331 1.00 9.15 C ATOM 2957 C GLU A 190 5.143 -22.871 -8.305 1.00 10.12 C ATOM 2958 O GLU A 190 5.887 -23.132 -7.336 1.00 10.56 O ATOM 2959 CB GLU A 190 3.191 -23.582 -6.889 1.00 9.15 C ATOM 2960 CG GLU A 190 1.698 -23.921 -6.785 1.00 8.88 C ATOM 2961 CD GLU A 190 1.244 -24.098 -5.348 1.00 9.20 C ATOM 2962 OE1 GLU A 190 1.379 -25.219 -4.815 1.00 9.27 O ATOM 2963 OE2 GLU A 190 0.755 -23.113 -4.754 1.00 9.58 O ATOM 2964 OXT GLU A 190 5.484 -22.136 -9.257 1.00 10.60 O ATOM 0 H GLU A 190 4.394 -25.477 -8.525 1.00 8.45 H new ATOM 0 HA GLU A 190 3.086 -22.847 -8.926 1.00 9.15 H new ATOM 0 HB2 GLU A 190 3.759 -24.340 -6.350 1.00 9.15 H new ATOM 0 HB3 GLU A 190 3.369 -22.632 -6.386 1.00 9.15 H new ATOM 0 HG2 GLU A 190 1.115 -23.128 -7.252 1.00 8.88 H new ATOM 0 HG3 GLU A 190 1.496 -24.836 -7.342 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -18.688 6.942 4.641 1.00 1.34 C HETATM 2973 C2 GLC A 191 -17.120 6.782 4.522 1.00 1.55 C HETATM 2974 C3 GLC A 191 -16.766 5.265 4.173 1.00 1.62 C HETATM 2975 C4 GLC A 191 -17.458 4.229 5.168 1.00 1.59 C HETATM 2976 C5 GLC A 191 -19.030 4.492 5.213 1.00 1.39 C HETATM 2977 C6 GLC A 191 -19.806 3.680 6.296 1.00 1.49 C HETATM 2978 O2 GLC A 191 -16.636 7.594 3.448 1.00 1.64 O HETATM 2979 O3 GLC A 191 -15.350 5.100 4.243 1.00 1.88 O HETATM 2980 O4 GLC A 191 -17.182 2.893 4.736 1.00 1.73 O HETATM 2981 O5 GLC A 191 -19.175 5.925 5.611 1.00 1.36 O HETATM 2982 O6 GLC A 191 -20.827 4.391 6.986 1.00 1.50 O HETATM 0 HO6 GLC A 191 -20.736 5.350 6.807 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -17.606 2.257 5.349 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -15.118 4.171 4.032 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -16.135 7.037 2.816 1.00 1.64 H new HETATM 0 H62 GLC A 191 -20.255 2.809 5.819 1.00 1.49 H new HETATM 0 H61 GLC A 191 -19.089 3.308 7.028 1.00 1.49 H new HETATM 0 H5 GLC A 191 -19.437 4.207 4.243 1.00 1.39 H new HETATM 0 H4 GLC A 191 -17.056 4.362 6.172 1.00 1.59 H new HETATM 0 H3 GLC A 191 -17.144 5.057 3.172 1.00 1.62 H new HETATM 0 H2 GLC A 191 -16.664 7.079 5.466 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -21.327 9.593 1.417 1.00 1.56 C HETATM 2995 C3 BGC A 192 -20.094 8.803 2.035 1.00 1.44 C HETATM 2996 C4 BGC A 192 -20.512 7.635 3.064 1.00 1.26 C HETATM 2997 C5 BGC A 192 -21.675 6.735 2.429 1.00 1.30 C HETATM 2998 C6 BGC A 192 -22.329 5.718 3.416 1.00 1.26 C HETATM 2999 C1 BGC A 192 -22.430 8.591 0.967 1.00 1.63 C HETATM 3000 O1 BGC A 192 -23.605 9.251 0.620 1.00 1.86 O HETATM 3001 O2 BGC A 192 -20.895 10.370 0.301 1.00 1.78 O HETATM 3002 O3 BGC A 192 -19.268 9.738 2.726 1.00 1.54 O HETATM 3003 O4 BGC A 192 -19.334 6.788 3.360 1.00 1.27 O HETATM 3004 O5 BGC A 192 -22.769 7.673 2.065 1.00 1.47 O HETATM 3005 O6 BGC A 192 -23.742 5.592 3.329 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -21.885 4.738 3.245 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -22.071 6.011 4.434 1.00 1.26 H new HETATM 0 HC BGC A 192 -18.501 9.270 3.117 1.00 1.54 H new HETATM 0 HB BGC A 192 -21.659 10.853 -0.077 1.00 1.78 H new HETATM 0 HA BGC A 192 -24.278 8.596 0.341 1.00 1.86 H new HETATM 0 H6 BGC A 192 -24.099 6.303 2.757 1.00 1.46 H new HETATM 0 H5 BGC A 192 -21.227 6.170 1.611 1.00 1.30 H new HETATM 0 H4 BGC A 192 -20.875 8.087 3.987 1.00 1.26 H new HETATM 0 H3 BGC A 192 -19.579 8.319 1.205 1.00 1.44 H new HETATM 0 H2 BGC A 192 -21.739 10.257 2.177 1.00 1.56 H new HETATM 0 H1 BGC A 192 -22.030 8.052 0.108 1.00 1.63 H new